Cas no 71848-98-1 (6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol (non-preferred name))

6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol (non-preferred name) structure
71848-98-1 structure
Product Name:6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol (non-preferred name)
CAS No:71848-98-1
MF:C27H46O3
MW:418.652348995209
CID:1751386
PubChem ID:191986
Update Time:2024-03-01

6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol (non-preferred name) Chemical and Physical Properties

Names and Identifiers

    • 6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol (non-preferred name)
    • 21-Norcholest-5-ene-3,23,25-triol, 23-methyl-, (3beta)-
    • 21-Norcholest-5-ene-3,23,25-triol, 23-methyl-, (3β)- (9CI)
    • Inchi： 1S/C27H46O3/c1-24(2,29)17-25(3,30)13-10-18-7-9-22-21-8-6-19-16-20(28)11-14-27(19,5)23(21)12-15-26(18,22)4/h6,18,20-23,28-30H,7-17H2,1-5H3/t18-,20+,21+,22+,23+,25?,26-,27+/m1/s1
    • InChI Key： ZVBNAAZSVJITDX-VBQUGBLESA-N
    • SMILES： O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CCC(C)(CC(C)(C)O)O)CC[C@H]21

Computed Properties

  • Exact Mass: 418.34469533g/mol
  • Monoisotopic Mass: 418.34469533g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 684
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.4
  • Topological Polar Surface Area: 60.7?2

6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol (non-preferred name) Related Literature

71848-98-1 (6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol (non-preferred name)) Related Products

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