Cas no 2034-74-4 (7-Oxo-beta-sitosterol)

7-Oxo-beta-sitosterol structure
7-Oxo-beta-sitosterol structure
Product Name:7-Oxo-beta-sitosterol
CAS No:2034-74-4
MF:C29H48O2
MW:428.690229415894
CID:249598
PubChem ID:160608
Update Time:2025-04-19

7-Oxo-beta-sitosterol Chemical and Physical Properties

Names and Identifiers

    • Stigmast-5-en-7-one,3-hydroxy-, (3b)-
    • 7-Oxo-β-sitosterol
    • 7-Oxo-beta-sitosterol
    • 3-Hydroxystigmast-5-en-7-one
    • 3beta-Hydroxyporiferast-5-en-7-one
    • 7-Oxo-b-sitosterol
    • LMST01040243
    • 3-Hydroxy-(3beta)-Stigmast-5-en-7-one
    • 3beta-hydroxy-stigmast-5-en-7-one
    • CHEBI:177122
    • HY-N2757
    • Stigmast-5-en-3.beta.-ol-7-one
    • 2034-74-4
    • (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
    • Stigmast-5-en-7-one, 3-hydroxy-, (3beta)-
    • 7-Ketositosterol
    • 7-Keto--sitosterol
    • 7-Ketositosterol; 7-Oxo--sitosterol; 7-Oxositosterol; 7-Oxysitosterol; 7-keto-Sitosterol; Stigmast-5-en-3-ol-7-one
    • FS-9535
    • PD167700
    • CHEMBL254780
    • AKOS040761251
    • 3beta-hydroxystigmast-5-en-7-one
    • Stigmast-5-en-7-one, 3-hydroxy-, (3.beta.)-
    • (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-dimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
    • SCHEMBL12484619
    • DTXSID00942496
    • LMST01040169
    • CS-0023263
    • PD167701
    • 17-(5-ethyl-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
    • AKOS032948644
    • 14-(5-ethyl-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-9-one
    • B2703-173630
    • 7-Oxo-EC-sitosterol
    • Sepesteonol
    • "3?2-hydroxy-stigmast-5-en-7-one
    • 145163-97-9
    • 24-?±-7-oxositosterol
    • (1R,3AS,3BS,7S,9AR,9BS,11AR)-1-[(2R,5R)-5-ETHYL-6-METHYLHEPTAN-2-YL]-7-HYDROXY-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-4-ONE
    • Inchi: 1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
    • InChI Key: ICFXJOAKQGDRCT-ZIHMWMKCSA-N
    • SMILES: O=C1C=C2C[C@H](CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@H]3[C@@H]21)O

Computed Properties

  • Exact Mass: 428.36500
  • Monoisotopic Mass: 428.365430770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 6
  • Complexity: 708
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 8.3

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 536.1±29.0 °C at 760 mmHg
  • Flash Point: 226.1±16.9 °C
  • PSA: 37.30000
  • LogP: 7.20380
  • Vapor Pressure: 0.0±3.2 mmHg at 25°C

7-Oxo-beta-sitosterol Security Information

7-Oxo-beta-sitosterol Pricemore >>

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