All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
19583 Spirocaracolitone H Spirocaracolitone H Spirocaracolitone H C47H54O10 778.372 InChIKey=ALAQEDWQAUOEPW-ALKHOJTESA-N No Yes
19584 Spirocaracolitone I Spirocaracolitone I Spirocaracolitone I C46H56O14 832.367 InChIKey=IKGIBJMOMXWXQL-NHTRPCEWSA-N No Yes
19585 Spirocaracolitone J Spirocaracolitone J Spirocaracolitone J C53H60O16 952.388 InChIKey=ZVDLHKYDXJFAAO-HGMCTFAGSA-N No Yes
19586 Spirocaracolitone K Spirocaracolitone K Spirocaracolitone K C51H58O14 894.383 InChIKey=BTUHHAQSMFJQRD-USXMSJDQSA-N No Yes
19587 Spirocaracolitone L Spirocaracolitone L Spirocaracolitone L C41H50O9 686.345 InChIKey=XNUBOFLDNYISQG-HCHHIAHZSA-N No Yes
19588 Petatrichol A Petatrichol A Petatrichol A C30H48O3 456.360 InChIKey=JKRDJLUZDFFCPV-YYAAKRLPSA-N No Yes
19589 Petatrichol B Petatrichol B Petatrichol B C30H48O3 456.360 InChIKey=MQDJHKBRGRTGOR-PXERLXEHSA-N No Yes
19590 3α-hydroxy-13α,17α,21β-hopan-15,19-dione 3α-hydroxy-13α,17α,21β-hopan-15,19-dione 3α-hydroxy-13α,17α,21β-hopan-15,19-dione C30H48O3 456.360 InChIKey=PGHZPXAIUDLCLR-MTAXHOEDSA-N No Yes
19591 Hopane-3alpha,22-diol Hopane-3alpha,22-diol Hopane-3alpha,22-diol C30H52O2 444.397 InChIKey=FNUXMEOWJVTJJE-KJRSQBGHSA-N No Yes
19592 Lotoideside A Lotoideside A Lotoideside A C52H88O21 1048.582 InChIKey=KKHKBYSVIUUTBW-FFZIRIIJSA-N No Yes
19593 Lotoideside B Lotoideside B Lotoideside B C47H80O17 916.540 InChIKey=PDYIYMDSEUXDKP-UGIMMQHPSA-N No Yes
19594 Lotoideside C Lotoideside C Lotoideside C C45H76O16 872.513 InChIKey=LULHEQKFIYRKMT-BAMHIWRVSA-N No Yes
19595 Lotoideside D Lotoideside D Lotoideside D C40H68O12 740.471 InChIKey=PXHQDGIWIMHXGV-WELXFBLISA-N No Yes
19596 Lotoideside E Lotoideside E Lotoideside E C40H68O12 740.471 InChIKey=WDNRGOKAQYUFRP-ZAGHPOFASA-N No Yes
19597 Lotoideside F Lotoideside F Lotoideside F C41H68O13 768.466 InChIKey=VMLCUSZAAPPFET-ANIJWMGDSA-N No Yes
19598 Crotalic acid Crotalic acid Crotalic acid C30H48O3 456.360 InChIKey=IFWDCMIBLSJBHT-SDGIQYHISA-N No Yes
19599 (3S,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-Acetoxy-3-isopropyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13b-octadecahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid (3S,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-Acetoxy-3-isopropyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13b-octadecahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid (3S,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-Acetoxy-3-isopropyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13b-octadecahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid C32H50O4 498.371 InChIKey=BEXFSFAANNDQNF-DLLQFEHZSA-N No Yes
19600 Emarginellic acid Emarginellic acid Emarginellic acid C30H48O5 488.350 InChIKey=JWQDJXFGFNQZNP-AOHQENRJSA-N No Yes
19601 C34H52O7 572.371 InChIKey=VRARYFMALGBKIW-MRNWXYJMSA-N No Yes
19602 Fomefficinic Acid A Fomefficinic Acid A Fomefficinic Acid A C31H48O3 468.360 InChIKey=KBZOWVQYHZLSSX-DIQRFASRSA-N No Yes
19603 Fomefficinic Acid B Fomefficinic Acid B Fomefficinic Acid B C31H48O4 484.355 InChIKey=DGVHJZPQGFRVEC-ULCNFEHNSA-N No Yes
19604 Fomefficinic Acid C Fomefficinic Acid C Fomefficinic Acid C C31H50O4 486.371 InChIKey=XZEKQUYJGSOILA-ULCNFEHNSA-N No Yes
19605 Fomefficinic Acid E Fomefficinic Acid E Fomefficinic Acid E C33H48O5 524.350 InChIKey=FVOOCQKPVCFFSH-VPDRPMEHSA-N No Yes
19606 (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione C52H82O23 1074.525 InChIKey=POPCDORNWGKDIG-ZQWSIDIDSA-N No Yes
19607 (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione C51H80O23 1060.509 InChIKey=CMCAALWJSWZRIK-NAQVGAQSSA-N No Yes
19608 (23S)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-24-one (23S)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-24-one (23S)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-24-one C62H100O30 1324.630 InChIKey=JMQGEKVNXDAXFI-UMZOETFRSA-N No Yes
19609 (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione C62H98O31 1338.609 InChIKey=UHKZBJRPJJUPOP-VILUTDOHSA-N No Yes
19610 Austrolactone Austrolactone Austrolactone C30H40O8 528.272 InChIKey=SZXITMVEKFHHKF-GAKIQRCLSA-N No Yes
19611 Australic acid Australic acid Australic acid C32H42O8 554.288 InChIKey=SRDJHWNQQRDKHS-IATOPLFBSA-N No Yes
19612 (5ξ,22R,23E)-25-Hydroxy-3-oxolanosta-8,23-dien-22-yl acetate (5ξ,22R,23E)-25-Hydroxy-3-oxolanosta-8,23-dien-22-yl acetate (5ξ,22R,23E)-25-Hydroxy-3-oxolanosta-8,23-dien-22-yl acetate C32H50O4 498.371 InChIKey=HIOCTGSCXFLFKE-OPZSKAJMSA-N No Yes
19615 Leucasdin A Leucasdin A Leucasdin A C25H38O8 466.257 InChIKey=WZISBLRBOQCBRZ-SUZQKCODSA-N No Yes
19616 (16R)-Methyl Ether Leucasdin A (16R)-Methyl Ether Leucasdin A (16R)-Methyl Ether Leucasdin A C21H36O5 368.256 InChIKey=PMOTYDPLIWAWKA-AXSKPZPGSA-N No Yes
19617 (16S)-Methyl Ether Leucasdin A (16S)-Methyl Ether Leucasdin A (16S)-Methyl Ether Leucasdin A C21H36O5 368.256 InChIKey=PMOTYDPLIWAWKA-VYOPOWFHSA-N No Yes
19620 Leucasdin B Leucasdin B Leucasdin B C20H30O6 366.204 InChIKey=CUTBIBOIOVRFHC-PGYBWPQXSA-N No Yes
19621 C17H28O4 296.199 InChIKey=WPYQXZHHSGFVIF-VDYKHJEUSA-N No Yes
19623 Leucasdin C Leucasdin C Leucasdin C C20H32O4 336.230 InChIKey=VSIFYEMLGOJJIH-ZEEKQVTDSA-N No Yes
19624 Leucasdin C Methyl Ester Leucasdin C Methyl Ester Leucasdin C Methyl Ester C21H34O4 350.246 InChIKey=XAOLXTHJHROOHO-GQENOEBFSA-N No Yes
19625 Leucastrin A Leucastrin A Leucastrin A C31H54O2 458.412 InChIKey=BPDZJMCTHRVRNC-VJZMJXIOSA-N No Yes
19626 3,20-Ditrimethylsilyl Leucastrin A 3,20-Ditrimethylsilyl Leucastrin A 3,20-Ditrimethylsilyl Leucastrin A C37H70O2S2 610.482 InChIKey=IFAPJRYFRAWZQZ-MMQCUDKVSA-N No Yes
19627 Leucastrin B Leucastrin B Leucastrin B C30H52O3 460.392 InChIKey=AOXTVVMIAYODJX-LCUTZJSESA-N No Yes
19628 2-Methyl-5beta-isopropyl-1alpha,2beta,3beta,4alpha-cyclohexanetetraol 2-Methyl-5beta-isopropyl-1alpha,2beta,3beta,4alpha-cyclohexanetetraol 2-Methyl-5beta-isopropyl-1alpha,2beta,3beta,4alpha-cyclohexanetetraol C10H20O4 204.136 InChIKey=YFASMKQYOXGOCQ-MQIGXGKASA-N No Yes
19629 2-Methyl-5beta-isopropyl-1beta,2alpha,3beta,4beta-cyclohexanetetraol 2-Methyl-5beta-isopropyl-1beta,2alpha,3beta,4beta-cyclohexanetetraol 2-Methyl-5beta-isopropyl-1beta,2alpha,3beta,4beta-cyclohexanetetraol C10H20O4 204.136 InChIKey=YFASMKQYOXGOCQ-ZJDVBMNYSA-N No Yes
19630 9-Hydroxythymol 3-O-angelate 9-Hydroxythymol 3-O-angelate 9-Hydroxythymol 3-O-angelate C15H20O3 248.141 InChIKey=WLQGAANKDYIUIO-WZUFQYTHSA-N No Yes
19631 Acetone thymol-8,9-diyl ketal Acetone thymol-8,9-diyl ketal Acetone thymol-8,9-diyl ketal C13H18O3 222.126 InChIKey=YRQZONGPMRIGCN-UHFFFAOYSA-N No Yes
19632 8-Methoxy-9-hydroxythymol 3-O-angelate 8-Methoxy-9-hydroxythymol 3-O-angelate 8-Methoxy-9-hydroxythymol 3-O-angelate C16H22O4 278.152 InChIKey=QKESIZAEBRXOLV-SDQBBNPISA-N No Yes
19633 (3b,20R)-20-Hydroxylanost-25-en-3-yl palmitate (3b,20R)-20-Hydroxylanost-25-en-3-yl palmitate (3b,20R)-20-Hydroxylanost-25-en-3-yl palmitate C46H82O3 682.626 InChIKey=IJUSRCSEEQJAIC-RGCNUXDKSA-N No Yes
19634 (3b)-3-hydroxy-18(13-->12b)-abeo-lanosta-13(17),24-dien-18-oic acid (3b)-3-hydroxy-18(13-->12b)-abeo-lanosta-13(17),24-dien-18-oic acid (3b)-3-hydroxy-18(13-->12b)-abeo-lanosta-13(17),24-dien-18-oic acid C30H48O3 456.360 InChIKey=XXXRQJARRNNBRC-LICDEGENSA-N No Yes
19635 Mollisoside A Mollisoside A Mollisoside A C54H84O25S1 1164.502 InChIKey=UXSRFAQDAAQGTA-PNERJMDOSA-N No Yes
19636 Mollisoside B1 Mollisoside B1 Mollisoside B1 C53H82O25S1 1150.487 InChIKey=WIAXSNFDVQOFBU-DBDFIIGJSA-N No Yes
19637 Mollisoside B2 Mollisoside B2 Mollisoside B2 C53H82O25S1 1150.487 InChIKey=SVOCAEOMEBDWCM-BHNVBXJUSA-N No Yes