All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
5476 8a-Hydroxy-13-epi-pimar-16-en-18-al 8a-Hydroxy-13-epi-pimar-16-en-18-al 8a-Hydroxy-13-epi-pimar-16-en-18-al C20H32O2 304.240 InChIKey=ABCIEUDQNGOLIV-ZVZPGWEDSA-N No Yes
5477 Methyl 12b-hydroxysandaracopimarate Methyl 12b-hydroxysandaracopimarate Methyl 12b-hydroxysandaracopimarate C21H32O3 332.235 InChIKey=OLBJZJJCPIJGGV-FKFNPBDMSA-N No Yes
5478 Methyl 12b-acetoxysandaracopimarate Methyl 12b-acetoxysandaracopimarate Methyl 12b-acetoxysandaracopimarate C23H34O4 374.246 InChIKey=WBAFGFSOTAHUMN-ARCXIGLMSA-N No Yes
5479 1a,3b-Dihydroxytotarol 1a,3b-Dihydroxytotarol 1a,3b-Dihydroxytotarol C20H30O3 318.219 InChIKey=ZRLCCWFNSMFSHZ-VZSDVLBXSA-N No Yes
5480 MKN-349A MKN-349A MKN-349A C22H36N4O4 420.274 InChIKey=RZIIIIQWCVBQRA-HZQHLLASSA-N No Yes
5481 (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2,4,12-trihydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-5,7-diyl diacetate (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2,4,12-trihydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-5,7-diyl diacetate (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2,4,12-trihydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-5,7-diyl diacetate C21H30O11 458.179 InChIKey=HISDFVSSTMLDOG-DKWBATPYSA-N No Yes
5482 (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7,12-tetrayl tetraacetate (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7,12-tetrayl tetraacetate (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7,12-tetrayl tetraacetate C25H34O13 542.200 InChIKey=CWRZFIYRBDBWBH-XVHYGRDOSA-N No Yes
5483 (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2,12-dihydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7-triyl triacetate (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2,12-dihydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7-triyl triacetate (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2,12-dihydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7-triyl triacetate C23H32O12 500.189 InChIKey=YKMBUOCGIIAMJY-CQDPYAFZSA-N No Yes
5484 (1S,2S,3S,4R,5R,6S,7S,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,12-pentayl pentaacetate (1S,2S,3S,4R,5R,6S,7S,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,12-pentayl pentaacetate (1S,2S,3S,4R,5R,6S,7S,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,12-pentayl pentaacetate C29H38O17 658.211 InChIKey=DHCMTBDUPZLEEZ-AUMCHQGJSA-N No Yes
5485 (1S,2S,3S,4R,5R,6R,7S,8R,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,8,12-hexayl hexaacetate (1S,2S,3S,4R,5R,6R,7S,8R,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,8,12-hexayl hexaacetate (1S,2S,3S,4R,5R,6R,7S,8R,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,8,12-hexayl hexaacetate C31H42O18 702.237 InChIKey=MUWCHFQJODKQEP-HUUJPQFISA-N No Yes
5486 Lupa-20(29)-ene-3beta,25-diol Lupa-20(29)-ene-3beta,25-diol Lupa-20(29)-ene-3beta,25-diol C30H50O2 442.381 InChIKey=ZEUODJNSADRKJR-NNENYQEDSA-N No Yes
5487 (3β,11α)-11-Hydroxy-3,25-epoxylup-20(29)-en-25-one (3β,11α)-11-Hydroxy-3,25-epoxylup-20(29)-en-25-one (3β,11α)-11-Hydroxy-3,25-epoxylup-20(29)-en-25-one C30H46O3 454.345 InChIKey=CTONZDMPRGEDGA-CFLLAIFQSA-N No Yes
5488 3-deoxybetulonic acid 3-deoxybetulonic acid 3-deoxybetulonic acid C30H48O2 440.365 InChIKey=PTQVWLXNKDWNRD-INPVNEGFSA-N No Yes
5489 CHEMBL450718 CHEMBL450718 CHEMBL450718 C34H54O4 526.402 InChIKey=WWKHBJFZCNVMHO-FMJBZOEDSA-N No Yes
5490 Epicandicandiol Epicandicandiol Epicandicandiol C20H32O2 304.240 InChIKey=AMOBKAMJSKCUFH-PHUPPTAPSA-N No Yes
5491 Candicandiol Candicandiol Candicandiol C20H32O2 304.240 InChIKey=AMOBKAMJSKCUFH-IRIQXGSBSA-N No Yes
5492 Foliol Foliol Foliol C20H32O3 320.235 InChIKey=ZHAIQJLGKAVXSD-UVFUQYPRSA-N No Yes
5497 7a,9b,18-Trihydroxy-ent-kaur-16-ene 7a,9b,18-Trihydroxy-ent-kaur-16-ene 7a,9b,18-Trihydroxy-ent-kaur-16-ene C20H32O3 320.235 InChIKey=XWHDYPNTMZDVJN-BQTQRSMXSA-N No Yes
5498 Canditriol Canditriol Canditriol C20H32O3 320.235 InChIKey=SMJRKTGCQAVGTN-SSKHUGDLSA-N No Yes
5501 Sunpollenol Sunpollenol Sunpollenol C30H52O2 444.397 InChIKey=JNEHSZSTSJZRIW-SOHIRCJKSA-N No Yes
5502 (24S)-24,25-Epoxysunpollenol (24S)-24,25-Epoxysunpollenol (24S)-24,25-Epoxysunpollenol C30H52O3 460.392 InChIKey=WWWOCVBEDWYMAJ-YTXZDOLYSA-N No Yes
5503 (24R)-24,25-Epoxysunpollenol (24R)-24,25-Epoxysunpollenol (24R)-24,25-Epoxysunpollenol C30H52O3 460.392 InChIKey=WWWOCVBEDWYMAJ-CHAFTWNYSA-N No Yes
5504 (23E)-23-Dehydro-25-hydroxysunpollenol (23E)-23-Dehydro-25-hydroxysunpollenol (23E)-23-Dehydro-25-hydroxysunpollenol C30H52O3 460.392 InChIKey=UKFWDFNNVJCRIS-BZLUUICUSA-N No Yes
5505 (24S)-24,25-Dihydroxysunpollenol (24S)-24,25-Dihydroxysunpollenol (24S)-24,25-Dihydroxysunpollenol C30H54O4 478.402 InChIKey=YQDBUANZKYBHHI-YTXZDOLYSA-N No Yes
5506 (24R)-24,25-Dihydroxysunpollenol (24R)-24,25-Dihydroxysunpollenol (24R)-24,25-Dihydroxysunpollenol C30H54O4 478.402 InChIKey=YQDBUANZKYBHHI-CHAFTWNYSA-N No Yes
5507 Asperpyrone A Asperpyrone A Asperpyrone A C31H24O9 540.142 InChIKey=GTLHHARKIUPGCZ-UHFFFAOYSA-N No Yes
5508 Asperpyrone B Asperpyrone B Asperpyrone B C32H26O10 570.153 InChIKey=ADLOVFYPOQTFMO-UHFFFAOYSA-N No Yes
5509 Asperpyrone C Asperpyrone C Asperpyrone C C32H28O9 556.173 InChIKey=FINKXZKGZXIUCV-UHFFFAOYSA-N No Yes
5510 Vouacapenic acid Vouacapenic acid Vouacapenic acid C20H28O3 316.204 InChIKey=CGLTYYYFMFIPDN-FGPOBWDPSA-N No Yes
5511 (5alpha,8beta,10beta)-Cassa-13(14),15-diene-19-oic acid (5alpha,8beta,10beta)-Cassa-13(14),15-diene-19-oic acid (5alpha,8beta,10beta)-Cassa-13(14),15-diene-19-oic acid C20H30O2 302.225 InChIKey=AKARDCJUGQYTMY-OIGVQNGMSA-N No Yes
5512 Caesalpinin H Caesalpinin H Caesalpinin H C22H28O7 404.184 InChIKey=WIKUZWCBCFNRHH-ZCQRYNMDSA-N No Yes
5513 Caesalpinin I Caesalpinin I Caesalpinin I C22H26O7 402.168 InChIKey=JOUUKNPYEIJGRR-GBGAUSBMSA-N No Yes
5514 Caesalpinin J Caesalpinin J Caesalpinin J C25H32O9 476.205 InChIKey=BUWTXIVQINCIKO-ONTAUUTISA-N No Yes
5515 Caesalpinin K Caesalpinin K Caesalpinin K C22H32O5 376.225 InChIKey=UAUZSKBZFMNDSP-SBCRORLOSA-N No Yes
5516 Caesalpinin L Caesalpinin L Caesalpinin L C24H34O7 434.230 InChIKey=ZUOSXOQNJTXIGG-XWVCWXBLSA-N No Yes
5518 Caesalpinin N Caesalpinin N Caesalpinin N C22H30O6 390.204 InChIKey=ANSREVRTPGYVNC-MLHGQPGMSA-N No Yes
5519 Caesalpinin O Caesalpinin O Caesalpinin O C22H28O7 404.184 InChIKey=XGRZBPMXGMKFOF-ZCQRYNMDSA-N No Yes
5520 Caesalpinin P Caesalpinin P Caesalpinin P C24H32O6 416.220 InChIKey=JOJBHDMLFDFDDO-JLTPAFMDSA-N No Yes
5521 Norcaesalpinin F Norcaesalpinin F Norcaesalpinin F C21H26O7 390.168 InChIKey=DFXZQTIFYDKALW-KIRLBLGASA-N No Yes
5522 Caesalmin C Caesalmin C Caesalmin C C26H34O8 474.225 InChIKey=LNEQDVOGNPILGB-WOWNGYFCSA-N No Yes
5523 Caesalmin D Caesalmin D Caesalmin D C26H36O9 492.236 InChIKey=ZMDJQZBKCANBDV-ZWSLWUGUSA-N No Yes
5524 Caesalmin E Caesalmin E Caesalmin E C26H36O9 492.236 InChIKey=ZMDJQZBKCANBDV-GZEDFXFRSA-N No Yes
5525 Caesalmin F Caesalmin F Caesalmin F C27H38O9 506.252 InChIKey=CJTOTGKHOAAHOA-PTPHJPJZSA-N No Yes
5526 Caesalmin G Caesalmin G Caesalmin G C20H26O5 346.178 InChIKey=NSXNSJSUAMXKCX-QQUVXZFBSA-N No Yes
5527 Caesalpinin MA Caesalpinin MA Caesalpinin MA C24H34O6 418.236 InChIKey=IQFCUFCOJGKNJF-CNGGKPCVSA-N No Yes
5528 Caesalpinin MB Caesalpinin MB Caesalpinin MB C23H32O6 404.220 InChIKey=YKYVQVVITOKCCL-AOKVBNASSA-N No Yes
5529 Caesalpinin MC Caesalpinin MC Caesalpinin MC C24H32O6 416.220 InChIKey=QGJFJVCCXOJVOE-AWAHEQQVSA-N No Yes
5530 Caesalpinin MD Caesalpinin MD Caesalpinin MD C26H32O8 472.210 InChIKey=BWXWYHGGZBZROR-QKYIWSEVSA-N No Yes
5531 Caesalpinin ME Caesalpinin ME Caesalpinin ME C24H32O6 416.220 InChIKey=FJWOPFBTCFJPQR-SOGAUHHASA-N No Yes
5532 Norcaesalpinin MA Norcaesalpinin MA Norcaesalpinin MA C23H30O7 418.199 InChIKey=ZHPKGQYOROKIGK-DWQJTFDBSA-N No Yes