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
C51H92O2Molecular Mass
737.28Cite 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 ) (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