Description
IUPAC Name: (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
InChI: InChI=1S/C31H46O5/c1-19(2)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,13-14,21-22,25,27,32H,3,9,11-12,15-18H2,1-2,4-8H3,(H,34,35)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
InChIKey: KBQBNLHZTLWXML-SMFZDKLCSA-N
Canonical SMILES: CC(=CCCC(C1C(CC2(C1(CC=C3C2=CCC(C3(C)CCC(=O)OC)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]([C@]3(C)CCC(=O)OC)C(=C)C)C)C)O)C(=O)O)C
Synonyms: Poricoic acid BM; 1815623-74-5; HY-N9527; AKOS040757057; DA-66828; CS-0198383; E88787
Botanical Source: