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Chemical structure of Deacylmetaplexigenin

GC35824

Deacylmetaplexigenin

Also known as 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

Deacylmetaplexigenin is a pregnane glycoside isolated from Asclepias incarnate

ChemicalCAS3513-04-0MW380.48FormulaC21H32O6
CAS number
3513-04-0
Molecular weight
380.48
Formula
C21H32O6
Solubility
Soluble in DMSO
InChIKey
ATMZVVNNICECKQ-MNSFQJRNSA-N
Catalogue number
GC35824
Brand
GLPBIO
Computed properties PubChem CID 21633061 · XLogP -0.4 · TPSA 118 Ų · H-bond donors 5
XLogP
-0.4
TPSA
118 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
27

SMILES CC(=O)[C@@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3[C@]2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)O)C)O)O

Computed descriptors from PubChem (CID 21633061), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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