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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H38O4
Molecular Weight 426.5882
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 7
Charge 0

SHOW SMILES / InChI
Structure of AZAFRIN

SMILES

CC(\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)CCC[C@@]1(C)O)=C/C=C/C=C(C)/C=C/C(O)=O

InChI

InChIKey=NYWCITDWPAZNBU-DYISAODMSA-N
InChI=1S/C27H38O4/c1-21(11-7-8-12-22(2)15-16-24(28)29)13-9-14-23(3)17-20-27(31)25(4,5)18-10-19-26(27,6)30/h7-9,11-17,20,30-31H,10,18-19H2,1-6H3,(H,28,29)/b8-7+,13-9+,16-15+,20-17+,21-11+,22-12+,23-14+/t26-,27-/m1/s1

HIDE SMILES / InChI

Approval Year