17-(Acetyloxy)-3-methoxy-20-oxopregna-3,5-diene-6-carboxaldehyde

CAS Registry Number®

57361-81-6
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CAS Name

17-(Acetyloxy)-3-methoxy-20-oxopregna-3,5-diene-6-carboxaldehyde

Molecular Formula

C25H34O5

Molecular Mass

414.53

Cite this Page

17-(Acetyloxy)-3-methoxy-20-oxopregna-3,5-diene-6-carboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57361-81-6 (retrieved 2024-09-07) (CAS RN: 57361-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-208 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H34O5/c1-15(27)25(30-16(2)28)11-8-21-19-12-17(14-26)22-13-18(29-5)6-9-23(22,3)20(19)7-10-24(21,25)4/h13-14,19-21H,6-12H2,1-5H3/t19-,20+,21+,23-,24+,25+/m1/s1

InChIKey

InChIKey=KPFBUSLHFFWMAI-HYRPPVSQSA-N

SMILES

O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(=C(C=O)C3)C=C(OC)CC4)[H])[H])[H]

Canonical SMILES

O=CC1=C2C=C(OC)CCC2(C)C3CCC4(C)C(CCC4(OC(=O)C)C(=O)C)C3C1

Other Names for this Substance

  • Pregna-3,5-diene-6-carboxaldehyde, 17-(acetyloxy)-3-methoxy-20-oxo-
  • Pregna-3,5-diene-6-carboxaldehyde, 17-hydroxy-3-methoxy-20-oxo-, acetate
  • 17-(Acetyloxy)-3-methoxy-20-oxopregna-3,5-diene-6-carboxaldehyde