Methyl (17α,20E)-17,20-[(1-methoxyethylidene)bis(oxy)]-3-oxo-19-norpregna-4,20-diene-21-carboxylate

CAS Registry Number®

1370003-76-1
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CAS Name

Methyl (17α,20E)-17,20-[(1-methoxyethylidene)bis(oxy)]-3-oxo-19-norpregna-4,20-diene-21-carboxylate

Molecular Formula

C25H34O6

Molecular Mass

430.53

Cite this Page

Methyl (17α,20E)-17,20-[(1-methoxyethylidene)bis(oxy)]-3-oxo-19-norpregna-4,20-diene-21-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1370003-76-1 (retrieved 2024-07-21) (CAS RN: 1370003-76-1).  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/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14+/t17-,18+,19+,20-,23-,24?,25+/m0/s1

InChIKey

InChIKey=KCQHQCDHFVGNMK-PQUNLUOYSA-N

SMILES

C[C@@]12[C@]3(/C(=C\C(OC)=O)/OC(OC)(C)O3)CC[C@]1([C@]4([C@](CC2)([C@@]5(C(CC4)=CC(=O)CC5)[H])[H])[H])[H]

Canonical SMILES

O=C(OC)C=C1OC(OC)(OC12CCC3C4CCC5=CC(=O)CCC5C4CCC32C)C

Other Names for this Substance

  • 19-Norpregna-4,20-diene-21-carboxylic acid, 17,20-[(1-methoxyethylidene)bis(oxy)]-3-oxo-, methyl ester, (17α,20E)-
  • Methyl (17α,20E)-17,20-[(1-methoxyethylidene)bis(oxy)]-3-oxo-19-norpregna-4,20-diene-21-carboxylate
  • YK 11