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Substance Name: Cholesteryl carbonate
RN: 29331-39-3
UNII: 715K18A57S
InChIKey: JWXLCQHWBFHMOI-NIQMUPOESA-N

Molecular Formula

  • C55-H90-O3

Molecular Weight

  • 799.313
 
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Names and Synonyms

Name of Substance

  • Cholesteryl carbonate

Synonym

  • UNII-715K18A57S

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, carbonate (2:1)

Registry Numbers

CAS Registry Number

  • 29331-39-3

FDA UNII

  • 715K18A57S

System Generated Number

  • 0029331393

Structure Descriptors

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/t37-,38-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,52+,53+,54-,55-/m1/s1

InChIKey

JWXLCQHWBFHMOI-NIQMUPOESA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)O[C@H]5CC[C@]6(C)[C@H]7CC[C@]8(C)[C@H](CC[C@H]8[C@@H]7CC=C6C5)[C@H](C)CCCC(C)C