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Chemical structure of 5α-Androstane-3β,5,6β-triol

GC74738

5α-Androstane-3β,5,6β-triol

Also known as (3S,5R,6R,8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol

5α-Androstane-3β,5,6β-triol is a neuroprotectant

ChemicalCAS4725-51-3MW308.46FormulaC19H32O3
CAS number
4725-51-3
Molecular weight
308.46
Formula
C19H32O3
Solubility
DMSO： ≥ 125 mg/mL (405·24 mM)
InChIKey
IFRIPYPBJCUNAG-OTMXHXQLSA-N
Catalogue number
GC74738
Brand
GLPBIO
Computed properties PubChem CID 53232379 · XLogP 3.5 · TPSA 60.7 Ų · H-bond donors 3
XLogP
3.5
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22

SMILES C[C@@]12CCC[C@H]1[C@@H]3C[C@H]([C@]4(C[C@H](CC[C@@]4([C@H]3CC2)C)O)O)O

Computed descriptors from PubChem (CID 53232379), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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