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

Details

Stereochemistry EPIMERIC
Molecular Formula C17H22O5
Molecular Weight 306.3536
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TENULIN

SMILES

[H][C@@]12C[C@@H](C)[C@]3([H])C=CC(=O)[C@@]3(C)[C@]4([H])OC(C)(O)[C@](C)(C(=O)O1)[C@]24[H]

InChI

InChIKey=CNIULSUYTFOEHN-MEBIVNBJSA-N
InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17?/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22O5
Molecular Weight 306.3536
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8O6QE3MHR3
Record Status Validated (UNII)
Record Version