N-[(3α,5β,7β,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine

CAS Registry Number®

68753-51-5

CAS Name

N-[(3α,5β,7β,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine

Molecular Formula

C26H43NO6

Molecular Mass

465.62

Cite this Page

N-[(3α,5β,7β,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68753-51-5 (retrieved 2024-11-08) (CAS RN: 68753-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20+,21+,24+,25+,26-/m1/s1

InChIKey

InChIKey=RFDAIACWWDREDC-IFZPJRIXSA-N

SMILES

O[C@@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(NCC(O)=O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]

Canonical SMILES

O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Glycine, N-[(3α,5β,7β,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-
  • N-[(3α,5β,7β,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine

CAS INSIGHTSTM
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