Description
IUPAC Name: 4-[(7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pent-4-enoic acid
InChI: InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h15-16,18,28H,1,7-13H2,2-6H3,(H,32,33)/t15-,16+,18?,25+,26-,27+/m1/s1
InChIKey: APMICFQMLNFXRZ-RUGOWIIJSA-N
Canonical SMILES: CC1(C2CC(C3=C(C2(CCC1=O)C)C(=O)CC4(C3(C(=O)CC4C(=C)CCC(=O)O)C)C)O)C
Isomeric SMILES: C[C@]12CCC(=O)C(C1C[C@@H](C3=C2C(=O)C[C@]4([C@]3(C(=O)C[C@@H]4C(=C)CCC(=O)O)C)C)O)(C)C
Synonyms: 852936-69-7; 4-[(7S,10S,13R,14R,17R)-7-Hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pent-4-enoic acid; FS-7135; 4-[(1R,3aR,4S,9aS,11aR)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1H,2H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]pent-4-enoic acid
Botanical Source: Ganoderma