Cholest-5-en-3-ol (3β)-, 3-(9-anthracenecarboxylate)

CAS Registry Number®

2641-40-9

CAS Name

Cholest-5-en-3-ol (3β)-, 3-(9-anthracenecarboxylate)

Molecular Formula

C42H54O2

Molecular Mass

590.88

Cite this Page

Cholest-5-en-3-ol (3β)-, 3-(9-anthracenecarboxylate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2641-40-9 (retrieved 2024-11-01) (CAS RN: 2641-40-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H54O2/c1-27(2)11-10-12-28(3)36-19-20-37-35-18-17-31-26-32(21-23-41(31,4)38(35)22-24-42(36,37)5)44-40(43)39-33-15-8-6-13-29(33)25-30-14-7-9-16-34(30)39/h6-9,13-17,25,27-28,32,35-38H,10-12,18-24,26H2,1-5H3/t28-,32+,35+,36-,37+,38+,41+,42-/m1/s1

InChIKey

InChIKey=FMGWOPYZVAWWNP-SKWQCYOWSA-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(=O)C=5C6=C(C=C7C5C=CC=C7)C=CC=C6)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C=5C=6C=CC=CC6C=C7C=CC=CC75

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-(9-anthracenecarboxylate)
  • Cholesterol, 9-anthroate
  • Cholest-5-en-3-ol (3β)-, 9-anthracenecarboxylate
  • 9-Anthroic acid cholesteryl ester
  • Cholesteryl anthracene-9-carboxylate

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS