Cholesteryl hydrogen phthalate

CAS Registry Number®

6732-01-0

CAS Name

Cholesteryl hydrogen phthalate

Molecular Formula

C35H50O4

Molecular Mass

534.77

Cite this Page

Cholesteryl hydrogen phthalate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6732-01-0 (retrieved 2024-11-21) (CAS RN: 6732-01-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H50O4/c1-22(2)9-8-10-23(3)29-15-16-30-28-14-13-24-21-25(17-19-34(24,4)31(28)18-20-35(29,30)5)39-33(38)27-12-7-6-11-26(27)32(36)37/h6-7,11-13,22-23,25,28-31H,8-10,14-21H2,1-5H3,(H,36,37)/t23-,25+,28+,29-,30+,31+,34+,35-/m1/s1

InChIKey

InChIKey=DNRPYEJJPBQNQB-MMFRCHASSA-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)C5=C(C(O)=O)C=CC=C5)CC2)[H])[H]

Canonical SMILES

O=C(O)C=1C=CC=CC1C(=O)OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCCC(C)C)C3(C)CC2

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-(hydrogen 1,2-benzenedicarboxylate)
  • Cholesterol, hydrogen phthalate
  • Cholest-5-en-3-ol (3β)-, hydrogen 1,2-benzenedicarboxylate
  • Phthalic acid, cholesteryl ester
  • Cholesteryl hydrogen phthalate

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