Ergost-5-en-3-ol, 13-docosenoate, [3β(E),24R]-

CAS Registry Number®

110671-73-3

CAS Name

Ergost-5-en-3-ol, 13-docosenoate, [3β(E),24R]-

Molecular Formula

C50H88O2

Molecular Mass

721.23

Cite this Page

Ergost-5-en-3-ol, 13-docosenoate, [3β(E),24R]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110671-73-3 (retrieved 2024-11-25) (CAS RN: 110671-73-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H88O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-48(51)52-43-34-36-49(6)42(38-43)30-31-44-46-33-32-45(50(46,7)37-35-47(44)49)41(5)29-28-40(4)39(2)3/h15-16,30,39-41,43-47H,8-14,17-29,31-38H2,1-7H3/b16-15+/t40-,41-,43+,44+,45-,46+,47+,49+,50-/m1/s1

InChIKey

InChIKey=SVGTUNXQTXZOHW-QTQKRIOCSA-N

SMILES

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

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(C)C(C)C)C2(C)CC1)CCCCCCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • Ergost-5-en-3-ol, 13-docosenoate, [3β(E),24R]-
  • Campesteryl brassidate
  • Brassidic acid campesteryl ester
  • Campesterol (E)-13-docosenoate

CAS INSIGHTSTM
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