Cholestan-3-one, 7,12,26-trihydroxy-, (5β,7α,12α,25R)-

CAS Registry Number®

78094-12-9

CAS Name

Cholestan-3-one, 7,12,26-trihydroxy-, (5β,7α,12α,25R)-

Molecular Formula

C27H46O4

Molecular Mass

434.65

Cite this Page

Cholestan-3-one, 7,12,26-trihydroxy-, (5β,7α,12α,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78094-12-9 (retrieved 2024-11-25) (CAS RN: 78094-12-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-18,20-25,28,30-31H,5-15H2,1-4H3/t16-,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=UCVRZTRGVBWBPR-QGLFLVSTSA-N

SMILES

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

Canonical SMILES

O=C1CCC2(C)C(C1)CC(O)C3C4CCC(C(C)CCCC(C)CO)C4(C)C(O)CC32

Other Names for this Substance

  • Cholestan-3-one, 7,12,26-trihydroxy-, (5β,7α,12α,25R)-

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