Deacylmetaplexigenin

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Catalog Number ACM3513040
Product Name Deacylmetaplexigenin
CAS Number 3513-04-0
IUPAC Name 1-[(3S,8S,9R,10R,12R,13S,14R,17S)-3,8,12,14,17-pentahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Weight 380.5
Molecular Formula C21H32O6
Canonical SMILES CC(=O)C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)O)C)O)O
Inchi InChI=1S/C21H32O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,14-16,23-27H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19+,20-,21+/m0/s1
InChIKey ATMZVVNNICECKQ-MNSFQJRNSA-N
Purity 98%
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