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Chemical structure of Pregnanediol

GC39185

Pregnanediol

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

Pregnanediol is the major metabolite of progesterone and can be excreted via urine

ChemicalCAS80-92-2MW320.51FormulaC21H36O2
CAS number
80-92-2
Molecular weight
320.51
Formula
C21H36O2
Solubility
Ethanol： 5 mg/mL (15·60 mM); DMSO： 2 mg/mL (6·24 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
YWYQTGBBEZQBGO-BERLURQNSA-N
Catalogue number
GC39185
Brand
GLPBIO
Computed properties PubChem CID 219833 · XLogP 5.2 · TPSA 40.5 Ų · H-bond donors 2
XLogP
5.2
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23

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

Computed descriptors from PubChem (CID 219833), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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