Cas no 145163-97-9 (3beta-Hydroxyporiferast-5-en-7-one)

3beta-Hydroxyporiferast-5-en-7-one structure
145163-97-9 structure
Product Name:3beta-Hydroxyporiferast-5-en-7-one
CAS No:145163-97-9
MF:C29H48O2
MW:428.69022
CID:98029
PubChem ID:6914805
Update Time:2024-11-04

3beta-Hydroxyporiferast-5-en-7-one Chemical and Physical Properties

Names and Identifiers

    • 3beta-Hydroxyporiferast-5-en-7-one
    • (3β,24S)-3-Hydroxystigmast-5-en-7-one
    • 3Β-HYDROXYPORIFERAST-5-EN-7-ONE
    • Stigmast-5-en-7-one,3-hydroxy-, (3b,24S)-
    • (3Beta,24S)-3-Hydroxystigmast-5-en-7-one
    • 3alpha-hydroxy-7-keto-5beta-cholanic acid
    • 3alpha-Hydroxy-7-oxo-5?cholanic acid
    • 3-Hydoxy-7-ketocholanic acid
    • 7-Ketochenodeoxycholic acid
    • 7-KETOLITHOCHOLIC ACID
    • 7-ketositosterol
    • 7-oxo-lithocholic acid
    • 7-oxositosterol
    • Hydroxycholanicacid
    • Nutriacholic acid
    • stigmastanone
    • [ "" ]
    • 145163-97-9
    • FS-10373
    • AKOS022184604
    • Stigmast-5-en-7-one,3-hydroxy-,(3b,24s)-
    • Stigmast-5-en-7-one, 3-hydroxy-, (3beta,24S)-
    • (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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
    • 3??-Hydroxyporiferast-5-en-7-one
    • (3
    • CS-0928313
    • A,24S)-3-Hydroxystigmast-5-en-7-one
    • HY-N12521
    • Inchi: 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@@]2([H])CC[C@]3(C)[C@@]([H])([C@H](C)CC[C@@H](CC)C(C)C)CC[C@@]3([H])[C@@]21[H])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
  • XLogP3: 8.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 37.30000
  • LogP: 7.20380

3beta-Hydroxyporiferast-5-en-7-one Security Information

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