All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
3267 CHEMBL486615 CHEMBL486615 CHEMBL486615 C30H46O4 470.340 InChIKey=MSMIBGMKDUWCSX-CSFGUCJGSA-N No Yes
3268 3beta,9alpha-Dihydroxy-5alpha-lanosta-24-ene-26-one 3beta,9alpha-Dihydroxy-5alpha-lanosta-24-ene-26-one 3beta,9alpha-Dihydroxy-5alpha-lanosta-24-ene-26-one C30H50O3 458.376 InChIKey=KICRJBQYQISQJK-PKNYFFNPSA-N No Yes
3269 25-Ethyl,23-methyl-19-nor-24-methylene-3,4-seco-4(28)-lanosten-10,3-olide 25-Ethyl,23-methyl-19-nor-24-methylene-3,4-seco-4(28)-lanosten-10,3-olide 25-Ethyl,23-methyl-19-nor-24-methylene-3,4-seco-4(28)-lanosten-10,3-olide C33H54O2 482.412 InChIKey=HDSISRBVLGLNDA-CHTVMPQBSA-N No Yes
3270 24-Ethyl,24-methyl-19-nor-3,4-seco-4(28),25(26)-lanostadiene-10,3-olide 24-Ethyl,24-methyl-19-nor-3,4-seco-4(28),25(26)-lanostadiene-10,3-olide 24-Ethyl,24-methyl-19-nor-3,4-seco-4(28),25(26)-lanostadiene-10,3-olide C32H52O2 468.397 InChIKey=IRWCFWQGEMPVOL-GKGDDUBYSA-N No Yes
3271 (9beta,24E)-3,4-Secolanosta-4(28),7,24-triene-3,26-dioic acid (9beta,24E)-3,4-Secolanosta-4(28),7,24-triene-3,26-dioic acid (9beta,24E)-3,4-Secolanosta-4(28),7,24-triene-3,26-dioic acid C30H46O4 470.340 InChIKey=VGVAABHRCNAZRM-WNWTZUNUSA-N No Yes
3272 24(E)-3-oxo-9bH-lanosta-7,24-dien-26-ol 24(E)-3-oxo-9bH-lanosta-7,24-dien-26-ol 24(E)-3-oxo-9bH-lanosta-7,24-dien-26-ol C30H48O2 440.365 InChIKey=KDAKWQOIKLMZTC-KFSVBABZSA-N No Yes
3273 Orbicoside Orbicoside Orbicoside C35H60O11 656.414 InChIKey=KSQPBJVANTVWKR-REURUPLBSA-N No Yes
3274 Orbigenin Orbigenin Orbigenin C30H52O7 524.371 InChIKey=LVIPPMJGCMNCBO-QCLXKXKBSA-N No Yes
3275 Saponaceol A Saponaceol A Saponaceol A C46H69N1O11 811.487 InChIKey=ZEGGEDOMPWZJBY-OJCREALKSA-N No Yes
3276 Saponaceol B Saponaceol B Saponaceol B C46H67N1O12 825.466 InChIKey=ROANTUQEUKXGTN-DFLZJPNQSA-N No Yes
3277 Saponaceol C Saponaceol C Saponaceol C C48H67N1O13 865.461 InChIKey=IQMQAGPBZCGUMZ-WHDQWODPSA-N No Yes
3278 Fasciculol E Fasciculol E Fasciculol E C39H65N1O11 723.456 InChIKey=XCIUFBDNARZOSJ-IOESLCIGSA-N No Yes
3279 Dicinnamide Dicinnamide Dicinnamide C22H24N2O2 348.184 InChIKey=NXPDEWPVRYWKQX-WXUKJITCSA-N No Yes
3280 3b,7b,20,23Õ-tetrahydroxy-11,15-dioxolanosta-8-en-26-oic acid 3b,7b,20,23Õ-tetrahydroxy-11,15-dioxolanosta-8-en-26-oic acid 3b,7b,20,23Õ-tetrahydroxy-11,15-dioxolanosta-8-en-26-oic acid C30H46O8 534.319 InChIKey=WVYAVOPFSOYOIJ-FXNCYKNPSA-N No Yes
3281 7b,20,23Õ-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid 7b,20,23Õ-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid 7b,20,23Õ-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid C30H44O8 532.304 InChIKey=XMBMRJGNNOUNJL-FCBJXMNTSA-N No Yes
3282 7b,23Õ-dihydroxy-3,11,15-trioxolanosta-8,20E(22)-dien-26-oic acid 7b,23Õ-dihydroxy-3,11,15-trioxolanosta-8,20E(22)-dien-26-oic acid 7b,23Õ-dihydroxy-3,11,15-trioxolanosta-8,20E(22)-dien-26-oic acid C30H42O7 514.293 InChIKey=GYRZOSZQWPIJBT-XZIWTQQDSA-N No Yes
3283 7b-Hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester 7b-Hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester 7b-Hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester C31H42O7 526.293 InChIKey=LPWWIRLWNQPIDU-HKWKCILSSA-N No Yes
3284 Fornicatin A Fornicatin A Fornicatin A C27H40O7 476.277 InChIKey=IABFUGDOHOVCEJ-MHSARYRJSA-N No Yes
3285 Fornicatin A Fornicatin A Fornicatin A C27H40O7 476.277 InChIKey=IABFUGDOHOVCEJ-MHSARYRJSA-N No Yes
3286 Fornicatin B Fornicatin B Fornicatin B C27H40O6 460.282 InChIKey=YXVYBSGFMJBSQD-YDTNFRICSA-N No Yes
3287 Fornicatin B Fornicatin B Fornicatin B C27H40O6 460.282 InChIKey=YXVYBSGFMJBSQD-YDTNFRICSA-N No Yes
3288 Bourneioside A Bourneioside A Bourneioside A C42H68O14 796.461 InChIKey=ORESVIJUAVPRJL-XUJNLDPJSA-N No Yes
3289 Bourneioside B Bourneioside B Bourneioside B C48H78O19 958.514 InChIKey=PIBYCTCUYUVYMR-RVBUUBKCSA-N No Yes
3290 Koelpinin-A Koelpinin-A Koelpinin-A C29H46O2 426.350 InChIKey=RCQKIAQMJAWKQW-FWJXMJEGSA-N No Yes
3291 Koelpinin-B Koelpinin-B Koelpinin-B C31H48O3 468.360 InChIKey=QPAYMQCYVQKZLP-QILHUBFGSA-N No Yes
3292 Koelpinin-C Koelpinin-C Koelpinin-C C29H44O2 424.334 InChIKey=KLTLHPPOKSEAFC-AQWYDMDASA-N No Yes
3293 1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone 1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone 1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone C29H48O2 428.365 InChIKey=RCXANGLYPFOYKX-XJJQXQETSA-N No Yes
3294 28-Norlupa-12,17-diene-3beta,16alpha-diol diacetate 28-Norlupa-12,17-diene-3beta,16alpha-diol diacetate 28-Norlupa-12,17-diene-3beta,16alpha-diol diacetate C33H50O4 510.371 InChIKey=LCPCGBAGHQEUNF-FJFWNMCESA-N No Yes
3295 3beta-Acetoxy-28-norlupa-12,17-diene-16-one 3beta-Acetoxy-28-norlupa-12,17-diene-16-one 3beta-Acetoxy-28-norlupa-12,17-diene-16-one C31H46O3 466.345 InChIKey=VCSFNRXDZQGKDM-NEOKKEPSSA-N No Yes
3296 28-Norlupa-12,17-diene-3,16-dione 28-Norlupa-12,17-diene-3,16-dione 28-Norlupa-12,17-diene-3,16-dione C29H42O2 422.318 InChIKey=WFKRDDOUMYCVJA-NTDVVVMNSA-N No Yes
3297 Betulinaldehyde-3b-yl-caffeate Betulinaldehyde-3b-yl-caffeate Betulinaldehyde-3b-yl-caffeate C39H56O5 604.413 InChIKey=YPYDKSRUCNTRBN-PFFTYKOHSA-N No Yes
3298 Betulin-3b-yl-caffeate Betulin-3b-yl-caffeate Betulin-3b-yl-caffeate C39H58O5 606.428 InChIKey=HITNRBFISYECHU-PFFTYKOHSA-N No Yes
3299 Betulinic acid-3b-yl-caffeate Betulinic acid-3b-yl-caffeate Betulinic acid-3b-yl-caffeate C39H56O6 620.408 InChIKey=HTTRFAKDNYSJGM-GYGFPMFQSA-N No Yes
3300 Olean-28-al-3b-yl caffeate Olean-28-al-3b-yl caffeate Olean-28-al-3b-yl caffeate C39H54O5 602.397 InChIKey=CCZVBQHPIFLVMF-IFMOQUEQSA-N No Yes
3301 3-O-Caffeoyloleanolic acid 3-O-Caffeoyloleanolic acid 3-O-Caffeoyloleanolic acid C39H54O6 618.392 InChIKey=OJEUMHQEAMVIBI-SBXAJAQGSA-N No Yes
3302 Celaphanol A Celaphanol A Celaphanol A C17H20O4 288.136 InChIKey=MLGLJFWISHCOAE-QGZVFWFLSA-N No Yes
3303 Celaphanol B Celaphanol B Celaphanol B C18H22O5 318.147 InChIKey=KJOVGUXTTUZJSJ-QZTJIDSGSA-N No Yes
3304 Nimbidiol Nimbidiol Nimbidiol C17H22O3 274.157 InChIKey=JMBKXUYCBVKSSY-OMOCHNIRSA-N No Yes
3305 Hennadiol Hennadiol Hennadiol C30H50O2 442.381 InChIKey=ZNUAKACHFYTNFX-QGTGJCAVSA-N No Yes
3306 Lupa-20(30)-ene-3alpha,29-diol Lupa-20(30)-ene-3alpha,29-diol Lupa-20(30)-ene-3alpha,29-diol C30H50O2 442.381 InChIKey=ZNUAKACHFYTNFX-ISZJTHHZSA-N No Yes
3307 Acankoreoside C Acankoreoside C Acankoreoside C C54H88O23 1104.572 InChIKey=JVOIMQGIODZVSL-SFDJKRGLSA-N No Yes
3308 Acankoreoside D Acankoreoside D Acankoreoside D C48H76O19 956.498 InChIKey=YDUPASYHRRYIHO-KJRIBHMSSA-N No Yes
3309 CHEMBL1269326 CHEMBL1269326 CHEMBL1269326 C36H58O9 634.408 InChIKey=WRJZIYSNFOGUAQ-ZEJDLYSXSA-N No Yes
3310 CHEMBL1271589 CHEMBL1271589 CHEMBL1271589 C30H46O5 486.335 InChIKey=XROBZOZQCIQCRT-KTYMJOEPSA-N No Yes
3311 Snatzkein C Snatzkein C Snatzkein C C48H80O19 960.529 InChIKey=CCBYCBXQBUVXFT-FEGPLQROSA-N No Yes
3312 SnatzkeinD SnatzkeinD SnatzkeinD C48H80O19 960.529 InChIKey=CCBYCBXQBUVXFT-GISCBTQVSA-N No Yes
3313 Messagenic acid F Messagenic acid F Messagenic acid F C30H46O4 470.340 InChIKey=OTNMMCVDNMEIGO-FZFNOLFKSA-N No Yes
3315 (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-Acetyl-5a,5b,8,8,11a-pentamethyl-9-oxoicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-Acetyl-5a,5b,8,8,11a-pentamethyl-9-oxoicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-Acetyl-5a,5b,8,8,11a-pentamethyl-9-oxoicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid C29H44O4 456.324 InChIKey=OEDUZXBTNSUKNY-RSICVRGJSA-N No Yes
3316 Messagenic acid H Messagenic acid H Messagenic acid H C29H44O5 472.319 InChIKey=LMMXKTCZWLXJCH-APJSBJJISA-N No Yes
3317 Messagenic acid I Messagenic acid I Messagenic acid I C29H46O5 474.335 InChIKey=BCVWUUFCQPIQEW-QJTZDRMNSA-N No Yes