chempirical

Cholesterol ethyl carbonate

C30H50O3CAS 23836-43-3458.73 g/mol

Open in Covalent MOL file
OOO
AlkeneCarbonate

Properties

Molecular formula
C30H50O3
Molar mass
458.73 g/mol
Exact mass
458.3760 Da
logP
8.57Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7
Stereocentres
S, R, S, R, S, S, R, Rin 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
23836-43-3
SMILES
CCOC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChIKey
VARVSEQINPNKDM-NXUCFJMCSA-N
InChI
InChI=1S/C30H50O3/c1-7-32-28(31)33-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1

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Work with Cholesterol ethyl 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 methyl carbonate15507-52-583 % similar Cholesteryl propionate633-31-878 % similar (-)-Cholesteryl acetate604-35-376 % similar Cholesteryl oleyl carbonate17110-51-976 % similar Cholesteryl butyrate521-13-175 % similar Cholesteryl chloroformate7144-08-375 % similar Cholesteryl valerate7726-03-674 % similar Cholesteryl caproate1062-96-073 % similar

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

Same formula

Soyasapogenol B595-15-3

Elsewhere

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