Description
IUPAC Name: (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
InChI: InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24-25,31H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKey: HUTCYUJPLOTDMX-SPPZYOJVSA-N
Canonical SMILES: CC(CCC=C(C)C(=O)O)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
Isomeric SMILES: C[C@H](CC/C=C(C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Synonyms: Ganoderic Acid Y; 86377-52-8; CHEMBL1915760; Lanosta-7,9(11),24-trien-26-oic acid, 3-hydroxy-, (3beta,24E)-; CHEBI:172035; DTXSID501316796; BDBM50356919; AKOS040760414; …
Botanical Source: Bupleuri Radix; Ganoderma