Description
IUPAC Name: (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
InChI: InChI=1S/C30H44O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,11,13,19,22-23,25,31H,8,10,12,14-17H2,1-7H3,(H,33,34)/t19-,22-,23+,25+,28-,29-,30+/m1/s1
InChIKey: LVYOXPQJURJWPC-MVQHSHHOSA-N
Canonical SMILES: CC(=CCCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C(=O)O)C
Isomeric SMILES: CC(=CCC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C(=O)O)C
Synonyms: 16R-Hydroxy-3-oxolanosta7,9(11),24-trien-21-oic acid; 862109-64-6; CHEMBL497895; HY-N9533; AKOS040758395; DA-49119; CS-0198405; E88903
Botanical Source: