Cas no 153444-87-2 (Ergosta-5,17(20)-diene-3,25-diol,23-methyl-, (3b,17E,23R)-(9CI))

Ergosta-5,17(20)-diene-3,25-diol,23-methyl-, (3b,17E,23R)-(9CI) structure
153444-87-2 structure
Product Name:Ergosta-5,17(20)-diene-3,25-diol,23-methyl-, (3b,17E,23R)-(9CI)
CAS No:153444-87-2
MF:C29H48O2
MW:428.690229415894
CID:201872
PubChem ID:3037906
Update Time:2025-04-19

Ergosta-5,17(20)-diene-3,25-diol,23-methyl-, (3b,17E,23R)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Ergosta-5,17(20)-diene-3,25-diol,23-methyl-, (3b,17E,23R)-(9CI)
    • (3S,8R,9S,10R,13S,14S,17E)-17-[(4R,5S)-6-hydroxy-4,5,6-trimethylheptan-2-ylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
    • (3beta,17E,23R)-23-methylergosta-5,17-diene-3,25-diol
    • 23,24-Dimethylcholesta-5,17(20)-diene-3,25-diol
    • 25-Hydroxysarcosterol
    • Ergosta-5,17(20)-diene-3,25-diol, 23-methyl-, (3beta,17E,23R)-
    • 153444-87-2
    • Inchi： 1S/C29H48O2/c1-18(20(3)27(4,5)31)16-19(2)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,6)26(23)13-15-29(24,25)7/h8,18,20,22-23,25-26,30-31H,9-17H2,1-7H3/b24-19+/t18-,20+,22+,23+,25+,26+,28+,29-/m1/s1
    • InChI Key： KFFSVXGFRJRKRR-NSUZGPIOSA-N
    • SMILES： O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C(\C)/C[C@@H](C)[C@H](C)C(C)(C)O)/CC[C@@H]12

Computed Properties

  • Exact Mass: 428.365430770g/mol
  • Monoisotopic Mass: 428.365430770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 761
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.9
  • Topological Polar Surface Area: 40.5?2

Ergosta-5,17(20)-diene-3,25-diol,23-methyl-, (3b,17E,23R)-(9CI) Related Literature

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