Cas no 387-80-4 ((3beta,5beta)-stigmastan-3-ol)

(3beta,5beta)-stigmastan-3-ol structure
(3beta,5beta)-stigmastan-3-ol structure
Product Name:(3beta,5beta)-stigmastan-3-ol
CAS No:387-80-4
MF:C29H52O
MW:416.722589492798
CID:1490946
PubChem ID:6451614
Update Time:2025-04-21

(3beta,5beta)-stigmastan-3-ol Chemical and Physical Properties

Names and Identifiers

    • (3beta,5beta)-stigmastan-3-ol
    • (24S)-5beta-Stigmastan-3beta-ol
    • 5beta-Stigmastan-3beta-ol, (24S)-
    • (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 4736-91-8
    • 387-80-4
    • Q63409413
    • 24-ethylcoprostanol
    • Inchi: 1S/C29H52O/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/h19-27,30H,7-18H2,1-6H3/t20-,21?,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1
    • InChI Key: LGJMUZUPVCAVPU-OKGOGUTDSA-N
    • SMILES: O[C@H]1CC[C@@]2(C)[C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(CC)C(C)C)CC[C@H]21

Computed Properties

  • Exact Mass: 416.40206
  • Monoisotopic Mass: 416.401816278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 583
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10.2
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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