| 2D Structure | |
| CID | 5281316 |
| IUPAC Name | [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate |
| InChI | InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1 |
| InChI Key | IXQKXEUSCPEQRD-DKRGWESNSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C32H46O8 |
| Molecular Weight | 558.7 |
| synonyms | ['Cucurbitacin B', '6199-67-3', 'Amarine', 'Datisca principle B', 'Datiscn Principle B', '(+)-Cucurbitacin B', 'Cucurbitacine B', '1,2-Dihydro-alpha-elaterin', 'CHEBI:3941', '0115W5MABF', 'NSC-49451', 'NSC-144154', 'DTXSID501316196', '25-(Acetyloxy)-2,16,20-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione', '19-Nor-9beta,10alpha-lanosta-5,23-diene-3,11,22-trione, 2beta,16alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate', '19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)-', 'DTXCID401746059', '683-121-7', 'DATISCACIN', 'CHEMBL508185', 'CUCURBITACIN R - DATISCA PRINCIPLE B', 'NSC49451', '(R,E)-6-((2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate', '[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate', 'Cucurbitacin B hydrate', 'Cucurbitacine (B)', 'Cucurbitacin-B', 'MFCD07778083', 'MLS002702988', 'UNII-0115W5MABF', 'cucurbitacin B?', 'HSDB 3476', '19-nor-9.beta.,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-, 25-acetate', '19-Norlanosta-5,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-', 'NSC 49451', 'CUCURBITACINB', 'NSC 144154', 'Cucurbitacin B (Standard)', 'CUCURBITACIN B [MI]', 'SCHEMBL231815', 'GTPL12432', 'HY-N0416R', 'HY-N0416', 'BDBM50628744', 'LMST01010104', 'NSC144154', 's8165', 'AKOS015897085', '1,2-DIHYDRO-.ALPHA.-ELATERIN', 'CCG-270043', 'CS-3816', 'FC66008', '19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-', 'AC-34283', 'Cucurbitacin B hydrate, >=97% (HPLC)', 'DA-72423', 'C3442', 'NS00094064', 'C08794', 'Q27106259', '(2.BETA.,9.BETA.,10.ALPHA.,16.ALPHA.,23E)-25-(ACETYLOXY)-2,16,20-TRIHYDROXY-9-METHYL-19-NORLANOSTA-5,23-DIENE-3,11,22-TRIONE', '(2beta,9beta,10alpha,16alpha,23E)-25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-19-Norlanosta-5,23-diene-3,11,22-trione', '(2S,4R,23E)-2,16beta,20-trihydroxy-9beta,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate', '(3E,6R)-6-[(1R,2R,4S,10S,11S,13R,14R,15R)-4,13-dihydroxy-1,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0?,?.0??,??]heptadec-7-en-14-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate', '19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 2-beta,16-alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate', '19-Norlanosta-5,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, [2.beta.,.gamma.,.beta.,10.alpha.,16.alpha.]-', '2beta,16alpha,20,25-tetrahydroxy-9-methyl-19-nor-9beta,10alpha-lanosta-5,23-diene-3,11,22-trione, 25-acetate', '2beta,16alpha,20,25-tetrahydroxy-9-methyl-3,11,22-trioxo-19-nor-9beta,10alpha-lanosta-5,23-dien-25-yl acetate'] |
From Pubchem