Cholest-5-en-3-ol (3β)-, 3-[(11Z,14Z)-11,14-eicosadienoate]

CAS Registry Number®

77715-45-8

CAS Name

Cholest-5-en-3-ol (3β)-, 3-[(11Z,14Z)-11,14-eicosadienoate]

Molecular Formula

C47H80O2

Molecular Mass

677.14

Cite this Page

Cholest-5-en-3-ol (3β)-, 3-[(11Z,14Z)-11,14-eicosadienoate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77715-45-8 (retrieved 2024-11-23) (CAS RN: 77715-45-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11-,15-14-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

InChIKey

InChIKey=REFJKOQDWJELKE-AKLGJIFXSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCC=CCC=CCCCCC

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-[(11Z,14Z)-11,14-eicosadienoate]
  • Cholest-5-en-3-ol (3β)-, 11,14-eicosadienoate, (Z,Z)-
  • Cholest-5-en-3-ol (3β)-, (11Z,14Z)-11,14-eicosadienoate

CAS INSIGHTSTM
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