Methyl (3α,5β,6Z)-6-ethylidene-3-hydroxy-7-oxocholan-24-oate

CAS Registry Number®

1516887-32-3
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CAS Name

Methyl (3α,5β,6Z)-6-ethylidene-3-hydroxy-7-oxocholan-24-oate

Molecular Formula

C27H42O4

Molecular Mass

430.62

Cite this Page

Methyl (3α,5β,6Z)-6-ethylidene-3-hydroxy-7-oxocholan-24-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1516887-32-3 (retrieved 2024-08-27) (CAS RN: 1516887-32-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42O4/c1-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)31-5)8-9-20(26)24(21)25(18)30/h6,16-17,19-22,24,28H,7-15H2,1-5H3/b18-6-/t16-,17-,19-,20+,21+,22+,24+,26-,27-/m1/s1

InChIKey

InChIKey=SXDZXAFUWCERDJ-CXHHNCLUSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(OC)=O)C)(CC4)[H])[H])(C(=O)/C(=C\C)/[C@@]1(C[C@H](O)CC2)[H])[H])[H]

Canonical SMILES

O=C(OC)CCC(C)C1CCC2C3C(=O)C(=CC)C4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 6-ethylidene-3-hydroxy-7-oxo-, methyl ester, (3α,5β,6Z)-
  • Methyl (3α,5β,6Z)-6-ethylidene-3-hydroxy-7-oxocholan-24-oate
  • (6Z)-3α-Hydroxy-6-ethyliden-7-oxo-5y-cholan-24-oic acid methyl ester

Deleted or Replaced CAS Registry Numbers

2225746-61-0