(24S)-24-Methylcholestane-3β,5α,6β,25-tetrol 25-monoacetate

CAS Registry Number®

53866-36-7
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CAS Name

(24S)-24-Methylcholestane-3β,5α,6β,25-tetrol 25-monoacetate

Molecular Formula

C30H52O5

Molecular Mass

492.73

Cite this Page

(24S)-24-Methylcholestane-3β,5α,6β,25-tetrol 25-monoacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53866-36-7 (retrieved 2024-09-19) (CAS RN: 53866-36-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    247 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1

InChIKey

InChIKey=NTYRSMDNACWFJE-GCYJJEFRSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CC[C@@H](C(OC(C)=O)(C)C)C)C)(CC4)[H])[H])(C[C@@H](O)[C@@]1(O)C[C@@H](O)CC2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)C(C)CCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C)C

Other Names for this Substance

  • Ergostane-3,5,6,25-tetrol, 25-acetate, (3β,5α,6β)-
  • (24S)-24-Methylcholestane-3β,5α,6β,25-tetrol 25-monoacetate
  • 24α-Methylcholestane-3β,5α,6β-triol 25-monoacetate
  • (24S)-Ergostane-3β,5α,6β,25-tetraol 25-monoacetate