Molecular Identity
5alpha-Tetrahydrocortisol
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
PubChem CID: 92748
5a-Tetrahydrocortisol is a corticosteroid hormone.
2D Structure
Properties
C21H34O5
Molecular Formula
366.50
Molecular Weight
g/mol
366.2406
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
98
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
593
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)OIsomeric SMILES
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)OSynonyms(20)
Allotetrahydrocortisol302-91-0Kendall's compound C5alpha-TetrahydrocortisolReichstein's substance CWintersteiner's compound DAllopregnane-3alpha,11beta,17alpha,21-tetrol-20-one2-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]ethanoneA30U7U312ENSC-86469Pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3alpha,5alpha,11beta)-5alphaTHF2-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)ethanoneRefChem:9136003-alpha,11-beta,17,21-tetrahydroxy-5-alpha-pregnan-20-one
Data from PubChem (NCBI)
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Trials and conditions connected to 5alpha-Tetrahydrocortisol
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