U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O
Molecular Weight 426.7174
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.1-SITOSTEROL

SMILES

[H][C@@]12CC[C@H]([C@H](C)CC\C(=C\C)C(C)C)[C@@]1(C)CC[C@@]3([H])C2=CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]34C

InChI

InChIKey=LPZCCMIISIBREI-JXMPMKKESA-N
InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26+,27+,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Approval Year