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Chemical structure of 5α-Pregnane-3β,6α-diol-20-one

GC32153

5α-Pregnane-3β,6α-diol-20-one

Also known as 1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

5α-Pregnane-3β,6α-diol-20-one is a mitogenic metabolite of progesterone, and it can be produced in starved androgen-responsive prostate cancer cells

ChemicalCAS21853-11-2MW334.49FormulaC21H34O3
CAS number
21853-11-2
Molecular weight
334.49
Formula
C21H34O3
Solubility
Soluble in DMSO
InChIKey
HHUZGDMRRLQZIQ-WAXVQEINSA-N
Catalogue number
GC32153
Brand
GLPBIO
Computed properties PubChem CID 11035016 · XLogP 3.5 · TPSA 57.5 Ų · H-bond donors 2
XLogP
3.5
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24

SMILES CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C

Computed descriptors from PubChem (CID 11035016), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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