Cholesteryl heptanoate

CAS Registry Number®

1182-07-6
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CAS Name

Cholesteryl heptanoate

Molecular Formula

C34H58O2

Molecular Mass

498.82

Cite this Page

Cholesteryl heptanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1182-07-6 (retrieved 2024-04-29) (CAS RN: 1182-07-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    111.4-112.2 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H58O2/c1-7-8-9-10-14-32(35)36-27-19-21-33(5)26(23-27)15-16-28-30-18-17-29(25(4)13-11-12-24(2)3)34(30,6)22-20-31(28)33/h15,24-25,27-31H,7-14,16-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,33+,34-/m1/s1

InChIKey

InChIKey=KXWDMNPRHKRGKB-DYQRUOQXSA-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(CCCCCC)=O)CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-heptanoate
  • Cholesterol, heptanoate
  • Cholest-5-en-3-ol (3β)-, heptanoate
  • Heptanoic acid, cholesteryl ester
  • Cholesteryl heptanoate

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Deleted or Replaced CAS Registry Numbers

55066-92-7, 870637-56-2, 248260-63-1

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