Methyl (3α,5β,7β)-3,7-dihydroxy-24-norcholan-23-oate

CAS Registry Number®

118316-16-8
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CAS Name

Methyl (3α,5β,7β)-3,7-dihydroxy-24-norcholan-23-oate

Molecular Formula

C24H40O4

Molecular Mass

392.57

Cite this Page

Methyl (3α,5β,7β)-3,7-dihydroxy-24-norcholan-23-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=118316-16-8 (retrieved 2024-04-27) (CAS RN: 118316-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O4/c1-14(11-21(27)28-4)17-5-6-18-22-19(8-10-24(17,18)3)23(2)9-7-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1

InChIKey

InChIKey=WTAVEKBGEXLMTO-UZVSRGJWSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CC(OC)=O)C)[H])[H]

Canonical SMILES

O=C(OC)CC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • 24-Norcholan-23-oic acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-
  • Methyl (3α,5β,7β)-3,7-dihydroxy-24-norcholan-23-oate

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