chempirical

Cholesteryl propionate

C30H50O2CAS 633-31-8442.73 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C30H50O2
Molar mass
442.73 g/mol
Exact mass
442.3811 Da
Melting point
113 °C
logP
8.35Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7
Stereocentres
S, R, S, S, R, R, R, Sin SMILES atom order

Identifiers

CAS number
633-31-8
SMILES
CCC(=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
CCORPVHYPHHRKB-NXUCFJMCSA-N
InChI
InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(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

Weigh it out

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

Names and synonyms

9 names
  • Cholest-5-en-3-ol (3β)-, 3-propanoate
  • Cholesterol, propionate
  • Cholest-5-en-3-ol (3β)-, propanoate
  • 3β-(Propionyloxy)cholest-5-ene
  • Cholesterol n-propionate
  • Cholesteryl propanoate
  • NSC 226871
  • Cholest-5-en-3β-ol propionate
  • 5-Cholesten-3β-ol propionate

Work with Cholesteryl propionate

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 butyrate521-13-184 % similar Cholesteryl valerate7726-03-683 % similar Cholesteryl caproate1062-96-082 % similar Cholesteryl heptanoate1182-07-681 % similar Cholesteryl caprylate1182-42-981 % similar Cholesteryl nonanoate1182-66-781 % similar Cholesteryl decanoate1183-04-681 % similar Cholesteryl stearate1184-05-081 % similar

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

Same formula

Betulin473-98-3 (+)-Erythrodiol545-48-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook