(-)-Cholesteryl acetate

C29H48O2CAS 604-35-3428.70 g/mol

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AlkeneEster

Properties

Molecular formula
C29H48O2
Molar mass
428.70 g/mol
Exact mass
428.3654 Da
Melting point
113 °C
logP
7.96Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6
Stereocentres
S, R, S, S, R, R, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 5 ECHA notifiers. Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
604-35-3
SMILES
CC(=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
XUGISPSHIFXEHZ-VEVYEIKRSA-N
InChI
InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Cholest-5-en-3-ol (3β)-, 3-acetate
  • Cholesterol, acetate
  • Cholest-5-en-3-ol (3β)-, acetate
  • Cholesteryl acetate
  • 3β-Acetoxycholest-5-ene
  • Cholest-5-en-3β-ol acetate
  • Cholest-5-en-3β-yl acetate
  • Cholesterin acetate
  • Cholesterol 3β-acetate
  • 3-Cholesteryl acetate
  • Cholesterol 3-acetate
  • (3β)-Cholest-5-en-3-ol acetate
  • NSC 8799

Work with (-)-Cholesteryl acetate

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 methyl carbonate15507-52-580 % similar Cholesteryl propionate633-31-880 % similar Cholesteryl chloroformate7144-08-380 % similar Cholesteryl butyrate521-13-177 % similar Cholesterol ethyl carbonate23836-43-376 % similar Cholesteryl benzoate604-32-076 % similar Cholesteryl valerate7726-03-676 % similar Cholesteryl caproate1062-96-075 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook