chempirical

Cholesteryl hemisuccinate

C31H50O4CAS 1510-21-0486.74 g/mol

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AlkeneCarboxylic acidEster

Properties

Molecular formula
C31H50O4
Molar mass
486.74 g/mol
Exact mass
486.3709 Da
Melting point
175–175.5 °C
logP
7.80Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9
Stereocentres
R, R, S, S, S, R, S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
1510-21-0
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
WLNARFZDISHUGS-MIXBDBMTSA-N
InChI
InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Cholest-5-en-3-ol (3β)-, 3-(hydrogen butanedioate)
  • Cholesterol, hydrogen succinate
  • Cholest-5-en-3-ol (3β)-, hydrogen butanedioate
  • Cholesteryl hydrogen succinate
  • Cholesterol hemisuccinate
  • 3-[(Cholest-5-en-3β-yl)oxycarbonyl]propionic acid
  • Cholesteryl monosuccinate
  • 3-(3-Cholesteryloxycarbonyl)propionic acid
  • Mono(cholesteryl) succinate
  • Succinic acid monocholesteryl ester
  • 3-Cholesteryloxycarbonylpropanoic acid
  • Cholesterol monosuccinate
  • Succinate cholesterol monoester
  • CHEMS

Work with Cholesteryl hemisuccinate

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 butyrate521-13-181 % similar Cholesteryl valerate7726-03-680 % similar Cholesteryl caproate1062-96-079 % similar Cholesteryl propionate633-31-878 % similar Cholesteryl heptanoate1182-07-677 % similar Cholesteryl caprylate1182-42-977 % similar Cholesteryl nonanoate1182-66-777 % similar Cholesteryl decanoate1183-04-677 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook