| 2D Structure | |
| CID | 5281321 |
| IUPAC Name | (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione |
| InChI | InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1 |
| InChI Key | NISPVUDLMHQFRQ-MKIKIEMVSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C30H42O7 |
| Molecular Weight | 514.6 |
| synonyms | ['Cucurbitacin I', '2222-07-3', 'Elatericin B', 'JSI-124', 'NSC-521777', 'CHEBI:3947', 'SHQ47990PH', 'DTXSID501015546', 'NSC-112167', '(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione', 'JSI124', '(8S,9R,10R,13R,14S,16R,17R)-17-((E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta(a)phenanthrene-3,11-dione', 'DTXCID501473809', '218-736-8', 'Cucurbitacine (I)', '1,2-Dehydroelatericin A', 'NSC521777', 'NSC 521777', '19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-', 'MLS002702902', '19-nor-9.beta.,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-', 'Elatericin B;JSI-124;NSC-521777', '19-Norlanosta-1,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.)- (VA', 'EINECS 218-736-8', 'NSC 112167', 'CUCURBITACCINE (I)', 'Cucurbitacin I (Standard)', 'UNII-SHQ47990PH', 'Cucurbitacin I (Elatericin B)', 'CHEMBL387737', 'orb1296138', 'SCHEMBL2523066', 'HY-N1405R', 'NISPVUDLMHQFRQ-MKIKIEMVSA-N', 'GLXC-10147', 'Cucurbitacin I - Bio-X trade mark', 'HY-N1405', 'LMST01010110', 'NSC112167', 'AKOS024456675', 'CS-5431', 'FC64989', 'NCGC00388208-02', '19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-', '19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)-', '19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)- (VAN)', '2,16alpha,20,25-Tetrahydroxy-9beta-methyl-10alpha-19-norlanosta-1,5,23(E)-triene-3,11,22-trione', '28580-39-4', 'BC300056', 'MS-29560', 'XT170627', 'Elatericin B; JSI-124; NSC-521777', 'C08800', 'F85354', 'Q27106265', '(4R,9beta,16alpha,23E)-2,16,20,25-tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione', '(8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione', '2,16,20,25-Terahydroxycucurbita-1,5,23-triene-3,11,22-trione - Iberis umbellata (candytuft)', '2,16?,20,25-Tetrahydroxy-9-methyl-19-nor-9?,10?-lanosta-1,5,23-triene-3,11,22-trione;Elatericin B', '2,16a,20,25-Tetrahydroxy-9-methyl-19-Nor-9b,10a-lanosta-1,5,23-triene-3,11,22-trione;Elatericin B'] |
From Pubchem