Product Name
Tigogenin Acetate
Category
Heterocyclic Organic Compound
Synonyms
5-ALPHA, 20-ALPHA, 22-ALPHA, 25D-SPIROSTAN-3-BETA-OL ACETATE;25R,5ALPHA-SPIROSTAN-3BETA-OL 3-ACETATE;TIGOGENIN ACETATE;O-ACETYLTIGOGENIN;(25R)-5-alpha-spirostan-3-beta-yl acetate;(22R,25R)-5α-Spirostane-3β-ol acetate;(25R)-5α-Spirostan-3β-ol acetate;(25R
IUPAC Name
[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate
Molecular Formula
C29H46O4
Canonical SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C)C)C)C)OC1
InChI
InChI=1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
InChI Key
LVRAKYNQYKVPIK-OMRXZHHXSA-N
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