5 alpha-ergostane-3 beta,5,6 beta,7 beta-tetrol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 8
PubChem 133494
Molecular Formula

C28H50O4

SMILES

C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)O)C

InChI

InChI=1S/C28H50O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h16-25,29-32H,7-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1

synonyms
  • 80525-48-0
  • 5alpha-Ergostane-3beta,5,6beta,7beta-tetrol
  • (3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,7-tetrol
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Properties
Property Value
MW 450.7 g/mol
HBD 4
HBA 4
Rotatable Bond Count 5
Exact Mass 450.37091007 g/mol
Monoisotopic Mass 450.37091007 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 1
Complexity 680
xlogp 6.2
Topological Polar Surface Area 80.9