CAS | 95311-96-9 |
Synonyms | (3beta,5alpha,7beta,12beta)-3,7,12-Trihydroxy-4,4,14-trimethyl-11,15-dioxo-chol-8-en-24-oic acid |
IUPAC Name | (4R)-4-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
Molecular Weight | 476.6 |
Molecular Formula | C27H40O7 |
Canonical SMILES | C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)O)C)C |
InChI | InChI=1S/C27H40O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-17,23,28-29,34H,7-12H2,1-6H3,(H,31,32)/t13-,14-,15+,16+,17+,23-,25+,26+,27+/m1/s1 |
InChI Key | XIMQDJNNBMWDIH-YAQOJFSYSA-N |
Purity | 98% |
Appearance | Powder |
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