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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20O2
Molecular Weight 232.3181
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VELLERAL

SMILES

[H][C@@]12CC(C)(C)C[C@]1([H])[C@@H](C)C=C(C=O)C(C=O)=C2

InChI

InChIKey=GUAUUIHVMRMGCT-MISXGVKJSA-N
InChI=1S/C15H20O2/c1-10-4-12(8-16)13(9-17)5-11-6-15(2,3)7-14(10)11/h4-5,8-11,14H,6-7H2,1-3H3/t10-,11+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H20O2
Molecular Weight 232.3181
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
MS9HB5PQ54
Record Status Validated (UNII)
Record Version