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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18O5
Molecular Weight 290.3111
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WENTILACTONE B

SMILES

[H][C@@]12OC(=O)[C@@]3(C)C[C@H](O)C[C@](C)(C4=CC(=O)OCC4=C1)[C@@]23[H]

InChI

InChIKey=NQUNKSRIHYKOIX-QFLIJWGCSA-N
InChI=1S/C16H18O5/c1-15-5-9(17)6-16(2)13(15)11(21-14(16)19)3-8-7-20-12(18)4-10(8)15/h3-4,9,11,13,17H,5-7H2,1-2H3/t9-,11-,13-,15-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18O5
Molecular Weight 290.3111
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8JTI620GSI
Record Status Validated (UNII)
Record Version