chempirical

Cholesteryl oleyl carbonate

C46H80O3CAS 17110-51-9681.14 g/mol

Open in Covalent MOL file
OOO
AlkeneCarbonate

Properties

Molecular formula
C46H80O3
Molar mass
681.14 g/mol
Exact mass
680.6107 Da
Melting point
20 °C
logP
14.59Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
22
Stereocentres
S, R, S, S, R, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17110-51-9
SMILES
CCCCCCCC/C=CCCCCCCCCOC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
InChIKey
XMPIMLRYNVGZIA-TZOMHRFMSA-N
InChI
InChI=1S/C46H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-48-44(47)49-39-30-32-45(5)38(35-39)26-27-40-42-29-28-41(37(4)25-23-24-36(2)3)46(42,6)33-31-43(40)45/h14-15,26,36-37,39-43H,7-13,16-25,27-35H2,1-6H3/b15-14-/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Cholest-5-en-3-ol (3β)-, 3-[(9Z)-9-octadecen-1-yl carbonate]
  • Cholesterol, 9-octadecenyl carbonate, (Z)-
  • Cholest-5-en-3-ol (3β)-, 9-octadecenyl carbonate, (Z)-
  • Cholest-5-en-3-ol (3β)-, (9Z)-9-octadecenyl carbonate
  • 9-Octadecen-1-ol, cholesteryl carbonate, (Z)-
  • Carbonic acid, cholesteryl 9-octadecenyl ester, (Z)-
  • Carbonic acid, cholesteryl oleyl ester
  • Oleyl cholesteryl carbonate
  • Cholesterol oleyl carbonate
  • Kh 16

Work with Cholesteryl oleyl carbonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cholesteryl oleate303-43-582 % similar Cholesteryl linoleate604-33-178 % similar Cholesteryl heptanoate1182-07-676 % similar Cholesteryl caprylate1182-42-976 % similar Cholesteryl nonanoate1182-66-776 % similar Cholesteryl decanoate1183-04-676 % similar Cholesteryl stearate1184-05-076 % similar Cholesteryl laurate1908-11-876 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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