chempirical

Beta-sitosterol

C29H50OCAS 83-46-5414.72 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C29H50O
Molar mass
414.72 g/mol
Exact mass
414.3862 Da
Density
0.9417 g/mL (at 25 °C)
Melting point
140 °C
logP
8.02Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6
Stereocentres
R, R, R, S, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number
83-46-5
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIKey
KZJWDPNRJALLNS-VJSFXXLFSA-N
InChI
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

Weigh it out

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

Names and synonyms

34 names · show all
  • Stigmast-5-en-3-ol, (3β)-
  • Stigmast-5-en-3β-ol
  • Nimbosterol
  • (3β)-Stigmast-5-en-3-ol
  • Cupreol
  • α-Dihydrofucosterol
  • 22,23-Dihydrostigmasterol
  • Quebrachol
  • Rhamnol
  • β-Sitosterol
  • Stigmasterol, 22,23-dihydro-
  • Angelicin (steroid)
  • Cinchol
  • SKF 14463
  • Sitosterol
  • Angelicin
  • β-Sitosterin
  • 24α-Ethylcholesterol
  • δ5-Stigmasten-3β-ol
  • (24R)-Ethylcholest-5-en-3β-ol
  • Azuprostat
  • Sobatum
  • (-)-β-Sitosterol
  • (24R)-Stigmast-5-en-3β-ol
  • Rhammol
  • Sito-lande
  • Harzol
  • α-Phytosterol
  • Prostasal
  • NSC 18173
  • NSC 49083
  • NSC 8096
  • Betaprost
  • Inmunicin MAYMO

Work with Beta-sitosterol

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

Campesterol474-62-482 % similar Cholesterol57-88-570 % similar 25-Hydroxycholesterol2140-46-769 % similar Stigmasterol83-48-769 % similar Cholenic acid5255-17-467 % similar Daucosterol474-58-865 % similar Androstenediol521-17-563 % similar Pregnenolone145-13-157 % similar

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

Elsewhere

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