Description
IUPAC Name: (1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-one
InChI: InChI=1S/C22H34O3/c1-12-19-18(25-20(12)24)11-17-15-5-4-13-10-14(23)6-8-21(13,2)16(15)7-9-22(17,19)3/h12-19,23H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19-,21-,22-/m0/s1
InChIKey: CYXUDTBTOJCCSJ-MROBFSLYSA-N
Canonical SMILES: CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)OC1=O
Isomeric SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)OC1=O
Synonyms: 514-33-0; (1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-Hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-one; (20S)-3beta,16beta-Dihydroxy-5alpha-pregnane-20-carboxylic acid gamma-lactone; (1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]icosan-6-one; NSC71763; DTXSID80965709; NSC-71763; 2-Hydroxy-4a,6a,7-trimethyloctadecahydro-8H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-8-one
Botanical Source: