U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry MIXED
Molecular Formula C22H26O6
Molecular Weight 386.4382
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DI-P-METHYLBENZYLIDENESORBITOL

SMILES

CC1=CC=C(C=C1)C2OC[C@@H]3OC(O[C@H]([C@H](O)CO)[C@@H]3O2)C4=CC=C(C)C=C4

InChI

InChIKey=LQAFKEDMOAMGAK-RLCYQCIGSA-N
InChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-12-18-20(28-21)19(17(24)11-23)27-22(26-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H26O6
Molecular Weight 386.4382
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 4 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
00YK2U88F9
Record Status Validated (UNII)
Record Version