Phytosterols

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 166
Total Number of Articles : 194
PubChem 12303662
Molecular Formula

C29H50O

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

InChI

InChI=1S/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26?,27+,28+,29-/m1/s1

synonyms
  • Phytosterols
  • 68441-03-2
  • (3S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Properties
Property Value
MW 414.7 g/mol
HBD 1
HBA 1
Rotatable Bond Count 6
Exact Mass 414.386166214 g/mol
Monoisotopic Mass 414.386166214 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 634
xlogp 9.3
Topological Polar Surface Area 20.2