Cholesteryl caprylate

CAS Registry Number®

1182-42-9
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CAS Name

Cholesteryl caprylate

Molecular Formula

C35H60O2

Molecular Mass

512.85

Cite this Page

Cholesteryl caprylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1182-42-9 (retrieved 2024-04-25) (CAS RN: 1182-42-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    106.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1

InChIKey

InChIKey=SKLBBRQPVZDTNM-SJTWHRLHSA-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(CCCCCCC)=O)CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-octanoate
  • Cholesterol, octanoate
  • Cholest-5-en-3-ol (3β)-, octanoate
  • Cholesteryl caprylate
  • Cholesteryl octanoate

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Deleted or Replaced CAS Registry Numbers

34315-23-6, 900496-95-9

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