Trihydroxycoprostanic acid

CAS Registry Number®

547-98-8

CAS Name

Trihydroxycoprostanic acid

Molecular Formula

C27H46O5

Molecular Mass

450.65

Cite this Page

Trihydroxycoprostanic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=547-98-8 (retrieved 2024-11-21) (CAS RN: 547-98-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    182-184 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

InChIKey

InChIKey=CNWPIIOQKZNXBB-VCVMUKOKSA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCCC(C(O)=O)C)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)C(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-
  • 5β-Cholestan-26-oic acid, 3α,7α,12α-trihydroxy-
  • (3α,5β,7α,12α)-3,7,12-Trihydroxycholestan-26-oic acid
  • 5β-Cholestane-3α,7α,12α-triol-26-oic acid
  • 3α,7α,12α-Trihydroxycoprostanic acid

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Deleted or Replaced CAS Registry Numbers

123284-68-4, 72904-87-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration