API0232438

Hydrocortisone Butyrate

Hydrocortisone Acetate is a corticosteroid.

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CAS No.

13609-67-1
Synonyms

hydrocortisone butyrate; Hydrocortisone 17-butyrate; Cortisol 17-butyrate
CHEMBL ID

CHEMBL1683
Molecule Type

Small molecule
Compound CID

26133

Molecular Weight (g/mol)

432.5
Molecular Formula

C25H36O6
InChI

InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
InChIKey

BMCQMVFGOVHVNG-TUFAYURCSA-N
SMILES

CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO
IUPAC Name

[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
Exact Mass (Da)

432.25118886
Monoisotopic Mass (Da)

432.25118886

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