(-)-Beta-Sitosterol

C29H50OCAS 83-46-5414.72 g/mol

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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

Hazards

Not classified as hazardous under GHS by 100 ECHA notifiers. Aggregated from 100 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

35 names · show all
  • Beta-sitosterol
  • 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia