Stigmast-5-en-3-ol, 3-docosanoate, (3β)-

CAS Registry Number®

22554-56-9

CAS Name

Stigmast-5-en-3-ol, 3-docosanoate, (3β)-

Molecular Formula

C51H92O2

Molecular Mass

737.28

Cite this Page

Stigmast-5-en-3-ol, 3-docosanoate, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22554-56-9 (retrieved 2024-11-25) (CAS RN: 22554-56-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3/t41-,42-,44+,45+,46-,47+,48+,50+,51-/m1/s1

InChIKey

InChIKey=KESLVCKDQOQELG-OBZANURPSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CC[C@H](C(C)C)CC)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(CCCCCCCCCCCCCCCCCCCCC)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(CC)C(C)C)C2(C)CC1)CCCCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Stigmast-5-en-3-ol, 3-docosanoate, (3β)-
  • Stigmast-5-en-3β-ol, docosanoate
  • Stigmast-5-en-3-ol, docosanoate, (3β)-
  • β-Sitosterol, docosanoate
  • β-Sitosterol behenate

CAS INSIGHTSTM
Hourglass and a clock