(11β)-11,17-Dihydroxy-21-[(1-oxooctyl)oxy]pregn-4-ene-3,20-dione
CAS Registry Number®
6678-14-4
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CAS Name
(11β)-11,17-Dihydroxy-21-[(1-oxooctyl)oxy]pregn-4-ene-3,20-dioneMolecular Formula
C29H44O6Molecular Mass
488.66Cite this Page
(11β)-11,17-Dihydroxy-21-[(1-oxooctyl)oxy]pregn-4-ene-3,20-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6678-14-4 (retrieved ) (CAS RN: 6678-14-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
104-105 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C29H44O6/c1-4-5-6-7-8-9-25(33)35-18-24(32)29(34)15-13-22-21-11-10-19-16-20(30)12-14-27(19,2)26(21)23(31)17-28(22,29)3/h16,21-23,26,31,34H,4-15,17-18H2,1-3H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1
InChIKey
InChIKey=VWVPRYMOFYIOOZ-KAQKJVHQSA-N
SMILES
C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC[C@@]2(C(COC(CCCCCCC)=O)=O)O)[H]
Canonical SMILES
O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CCCCCCC
Other Names for this Substance
- Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-[(1-oxooctyl)oxy]-, (11β)-
- Cortisol, 21-octanoate
- Cortisol octanoate
- (11β)-11,17-Dihydroxy-21-[(1-oxooctyl)oxy]pregn-4-ene-3,20-dione
- Hydrocortisone 21-octanoate
