(3β)-Cholest-5-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate

CAS Registry Number®

164453-91-2

CAS Name

(3β)-Cholest-5-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate

Molecular Formula

C37H54O4

Molecular Mass

562.82

Cite this Page

(3β)-Cholest-5-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=164453-91-2 (retrieved 2024-11-22) (CAS RN: 164453-91-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-33(38)34(22-26)40-6/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+/t25-,28+,29+,30-,31+,32+,36+,37-/m1/s1

InChIKey

InChIKey=CPBQNAKTSMCPNH-NXVZWREOSA-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(/C=C/C5=CC(OC)=C(O)C=C5)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C=CC5=CC=C(O)C(OC)=C5

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
  • Cholest-5-en-3-ol (3β)-, 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, (E)-
  • Cholest-5-en-3-ol (3β)-, (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
  • (3β)-Cholest-5-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate

CAS INSIGHTSTM
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