Cholesterol carbonate

CAS Registry Number®

29331-39-3

CAS Name

Cholesterol carbonate

Molecular Formula

C55H90O3

Molecular Mass

799.30

Cite this Page

Cholesterol carbonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29331-39-3 (retrieved 2024-11-26) (CAS RN: 29331-39-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C55H90O3/c1-35(2)13-11-15-37(5)45-21-23-47-43-19-17-39-33-41(25-29-52(39,7)49(43)27-31-54(45,47)9)57-51(56)58-42-26-30-53(8)40(34-42)18-20-44-48-24-22-46(38(6)16-12-14-36(3)4)55(48,10)32-28-50(44)53/h17-18,35-38,41-50H,11-16,19-34H2,1-10H3

InChIKey

InChIKey=JWXLCQHWBFHMOI-UHFFFAOYSA-N

SMILES

CC12C3C(C4C(C)(CC3)C(C(CCCC(C)C)C)CC4)CC=C1CC(OC(OC5CC=6C(C)(CC5)C7C(CC6)C8C(C)(CC7)C(C(CCCC(C)C)C)CC8)=O)CC2

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)OC5CC6=CCC7C(CCC8(C)C(CCC78)C(C)CCCC(C)C)C6(C)CC5

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, carbonate (2:1)
  • Cholesterol, carbonate (2:1)
  • Carbonic acid, dicholesteryl ester
  • Dicholesteryl carbonate
  • Cholesterylcarbonate

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