3β-Hydroxy-5-cholestenoic acid

CAS Registry Number®

6561-58-6

CAS Name

3β-Hydroxy-5-cholestenoic acid

Molecular Formula

C27H44O3

Molecular Mass

416.64

Cite this Page

3β-Hydroxy-5-cholestenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6561-58-6 (retrieved 2024-11-28) (CAS RN: 6561-58-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173-175 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1

InChIKey

InChIKey=WVXOMPRLWLXFAP-AMQKJUDNSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C(O)=O)C)C)[H])[H]

Canonical SMILES

O=C(O)C(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholest-5-en-26-oic acid, 3-hydroxy-, (3β)-
  • Cholest-5-en-26-oic acid, 3β-hydroxy-
  • (3β)-3-Hydroxycholest-5-en-26-oic acid
  • 3β-Hydroxycholest-5-en-26-oic acid
  • 3β-Hydroxy-5-cholestenoic acid

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