Name: Allotetrahydrocortisol
Rating: 5 (10 reviews)

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HIT ID:HIT212686861
Cas No:302-91-0
常用名:Allotetrahydrocortisol
别名:5a-Tetrahydrocortisol
IUPAC:1-[(1R,3aS,3bS,5aS,7R,9aS,9bS,10S,11aS)-1,7,10-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethan-1-one
IUPAC:1-[(1R,3aS,3bS,5aS,7R,9aS,9bS,10S,11aS)-1,7,10-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethan-1-one
InChI key:AODPIQQILQLWGS-FDSHTENPSA-N

分子式:C21H34O5
分子量:366.498
氢键供体数 (HBD):4
氢键受体数 (HBA):5
LogP:1.1135
SMILES:[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
SMILES:[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C

Allotetrahydrocortisol (5a-Tetrahydrocortisol) is a primary metabolite of cortisol, the main glucocorticoid in humans.

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