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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16O2
Molecular Weight 168.2328
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MASSOIA LACTONE

SMILES

CCCCC[C@@H]1CC=CC(=O)O1

InChI

InChIKey=NEDIAPMWNCQWNW-SECBINFHSA-N
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H16O2
Molecular Weight 168.2328
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
847O2V0IOA
Record Status Validated (UNII)
Record Version