Description
6,7-Dihydroneridienone A isolated from the herbs of Tithonia diversifolia.
Synonyms
12beta-Hydroxypregna-4,16-diene-3,20-dione
IUPAC Name
(8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Molecular Formula
C21H28O3
Canonical SMILES
CC(=O)C1=CCC2C1(C(CC3C2CCC4=CC(=O)CCC34C)O)C
InChI
InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h6,10,15,17-19,24H,4-5,7-9,11H2,1-3H3/t15-,17-,18-,19+,20-,21+/m0/s1
InChIKey
ZTDAXWJYRPVTPO-GGLFOPPFSA-N