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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O4
Molecular Weight 266.3328
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-HYDROXYISOTRICHODERMOL, (8.ALPHA.)-

SMILES

[H][C@@]12O[C@]3([H])C=C(C)[C@@H](O)C[C@]3(C)[C@@](C)(C[C@H]1O)[C@]24CO4

InChI

InChIKey=KJKDVAAIVMZYPO-QGZVCZDXSA-N
InChI=1S/C15H22O4/c1-8-4-11-13(2,5-9(8)16)14(3)6-10(17)12(19-11)15(14)7-18-15/h4,9-12,16-17H,5-7H2,1-3H3/t9-,10+,11+,12+,13-,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22O4
Molecular Weight 266.3328
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
U1MP43NPC1
Record Status Validated (UNII)
Record Version