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Chemical structure of Allotetrahydrocortisol

GC38734

Allotetrahydrocortisol

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

Allotetrahydrocortisol (5a-Tetrahydrocortisol) is a metabolite of Cortisol

ChemicalCAS302-91-0MW366.49FormulaC21H34O5
CAS number
302-91-0
Molecular weight
366.49
Formula
C21H34O5
Solubility
Soluble in DMSO
InChIKey
AODPIQQILQLWGS-FDSHTENPSA-N
Catalogue number
GC38734
Brand
GLPBIO
Computed properties PubChem CID 92748 · XLogP 2.5 · TPSA 98 Ų · H-bond donors 4
XLogP
2.5
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

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

Computed descriptors from PubChem (CID 92748), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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