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Chemical structure of Hecogenin Acetate

GC43808

Hecogenin Acetate

Also known as [(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-10-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate

Hecogenin acetate is a steroid sapogenin and an acetylated form of hecogenin that has anthelmintic and antinociceptive properties

ChemicalCAS915-35-5MW472.7FormulaC29H44O5
CAS number
915-35-5
Molecular weight
472.7
Formula
C29H44O5
Solubility
DMF： 30 mg/mL,DMSO： 30 mg/mL,Ethanol： 30 mg/mL,Ethanol：PBS (pH 7·2)(1：2)： 0·3 mg/mL
InChIKey
CVKZWRTYHCDWTE-RSEFXUKDSA-N
Catalogue number
GC43808
Brand
GLPBIO
Computed properties PubChem CID 101906 · XLogP 5.4 · TPSA 61.8 Ų · H-bond donors 0
XLogP
5.4
TPSA
61.8 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
34

SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1

Computed descriptors from PubChem (CID 101906), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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