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beta-Sitosterol | 68555-08-8

Product name:beta-Sitosterol

CAS No:68555-08-8
MF:C29H50O
MW:414.70671
CID:509882
PubChem ID:86821
Names and Identifiers
  • Steroids,hydroxy
  • (24S)-5,22-STIGMASTADIEN-3BETA-OL
  • 3BETA-HYDROXY-24-ETHYL-5,22-CHOLESTADIENE
  • [3B-HYDROXY-24-ETHYL-D] ZZ-CHOLESTADIENE
  • 5,22-CHOLESTADIEN-24BETA-ETHYL-3BETA-OL
  • 5,22-CHOLESTADIEN-24B-ETHYL-3BETA-OL
  • 5,22-STIGMASTADIEN-3-BETA-OL
  • Refinedsoysterol
  • Soybeanoilsterolsphytosterols
  • Stigmasterol
  • UNII-PL360EPO9J
  • (24R)-Stigmast-5-en-3.beta.-ol
  • 5-Cholesten-24.beta.-ethyl-3.beta.-ol
  • (-)-.beta.-Sitosterol
  • SCHEMBL3963390
  • .beta.-Sitosterin
  • 68555-08-8
  • 949109-75-5
  • AC-11208
  • Stigmast-5-en-3.beta.-ol
  • NS00123049
  • (3.beta.)-Stigmast-5-en-3-ol #
  • AKOS021602260
  • AKOS001581066
  • .beta.-Sitosterol
  • KZJWDPNRJALLNS-UHFFFAOYSA-N
  • (24R)-Ethylcholest-5-en-3.beta.-ol
  • LS-15272
  • .DELTA.5-Stigmasten-3.beta.-ol
  • 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • Stigmast-5-en-3-ol, (3.beta.)-
  • Q121802
  • 1-(5-ETHYL-6-METHYLHEPTAN-2-YL)-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,6H,7H,8H,9H,9AH,9BH,10H,11H,11AH-CYCLOPENTA[A]PHENANTHREN-7-OL
  • FT-0773035
  • 24.alpha.-Ethylcholesterol
  • Refined soy sterol
  • Soybean oil sterols phytosterols
  • 5,22-Cholestadien-24beta-ethyl-3beta-ol
  • InChIKey:KZJWDPNRJALLNS-UHFFFAOYSA-N
  • 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
  • SMILES:CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 414.386
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Rotatable Bond Count: 6
  • Monoisotopic Mass: 414.386
  • Heavy Atom Count: 30
  • Complexity: 634
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 9.3
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • LogP: 8.02480
  • PSA: 20.23000
  • Refractive Index: 1.519
  • Boiling Point: 501.9ºC at 760 mmHg
  • Melting Point: 165-167 °C(lit.)
  • Flash Point: 220.4ºC
  • Color/Form: White solid
  • Specific Rotation: -28 o (C=2, CHCL3)
  • Density: 0.97 g/cm3
Security Information
  • WGK Germany:3
  • Safety Instruction:22-24/25
  • Storage Condition:20°C
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