21-Hydroxy-17-(1-oxobutoxy)pregna-4,9(11)-diene-3,20-dione

CAS Registry Number®

872623-99-9

CAS Name

21-Hydroxy-17-(1-oxobutoxy)pregna-4,9(11)-diene-3,20-dione

Molecular Formula

C25H34O5

Molecular Mass

414.53

Cite 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/detail?cas_rn=872623-99-9 (retrieved 2024-11-25) (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

CAS INSIGHTSTM
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