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Chemical structure of 5β-Dihydrocortisone

GC62060

5β-Dihydrocortisone

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

5β-Dihydrocortisone is a sterol metabolite of cortisone by 5β-reductase (AKR1D1) in liver

ChemicalCAS68-54-2MW362.46FormulaC21H30O5
CAS number
68-54-2
Molecular weight
362.46
Formula
C21H30O5
Solubility
DMSO ： 100 mg/mL (275·89 mM)
InChIKey
YCLWEYIBFOLMEM-FNLRALKVSA-N
Catalogue number
GC62060
Brand
GLPBIO
Computed properties PubChem CID 65554 · XLogP 1.8 · TPSA 91.7 Ų · H-bond donors 2
XLogP
1.8
TPSA
91.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

SMILES C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C

Computed descriptors from PubChem (CID 65554), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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