Chemistry:Hydrocortisone 17-butyrate

Hydrocortisone 17-butyrate

Names
IUPAC name 11β,21-Dihydroxy-3,20-dioxopregn-4-en-17α-yl butanoate
Systematic IUPAC name (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-Hydroxy-1-(hydroxyacetyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl butanoate
Identifiers
CAS Number	13609-67-1 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:31674 Y
ChEMBL	ChEMBL1683 Y
ChemSpider	24344 Y
DrugBank	DB14540
PubChem CID	26133
UNII	05RMF7YPWN Y
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 Y Key: BMCQMVFGOVHVNG-TUFAYURCSA-N Y InChI=1/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 Key: BMCQMVFGOVHVNG-TUFAYURCBW
SMILES O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](OC(=O)CCC)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4
Properties
Chemical formula	C25H36O6
Molar mass	432.55 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Tracking categories (test):

• SizeSet

Hydrocortisone 17-butyrate is a form of hydrocortisone butyrate.

See also

• Glucocorticoid
• Corticosteroid