21-Hydroxy-17-(1-oxobutoxy)pregna-4,9(11)-diene-3,20-dione
CAS Registry Number®
872623-99-9
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CAS Name
21-Hydroxy-17-(1-oxobutoxy)pregna-4,9(11)-diene-3,20-dioneMolecular Formula
C25H34O5Molecular Mass
414.53Cite this Page
21-Hydroxy-17-(1-oxobutoxy)pregna-4,9(11)-diene-3,20-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=872623-99-9 (retrieved ) (CAS RN: 872623-99-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
136 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H34O5/c1-4-5-22(29)30-25(21(28)15-26)13-10-20-18-7-6-16-14-17(27)8-11-23(16,2)19(18)9-12-24(20,25)3/h9,14,18,20,26H,4-8,10-13,15H2,1-3H3/t18-,20+,23+,24+,25+/m1/s1
InChIKey
InChIKey=IMSKTQNPYUKZMB-AMMWCUJOSA-N
SMILES
O(C(CCC)=O)[C@@]1(C(CO)=O)[C@]2(C)[C@@](CC1)([C@]3(C(=CC2)[C@]4(C)C(CC3)=CC(=O)CC4)[H])[H]
Canonical SMILES
O=C(OC1(C(=O)CO)CCC2C3C(=CCC21C)C4(C(=CC(=O)CC4)CC3)C)CCC
Other Names for this Substance
- Pregna-4,9(11)-diene-3,20-dione, 21-hydroxy-17-(1-oxobutoxy)-
- 21-Hydroxy-17-(1-oxobutoxy)pregna-4,9(11)-diene-3,20-dione
- CB 03-04
- 9,11-Dehydrocortexolone 17α-butyrate
