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 C58H106O13
Molecular Weight 1011.4544
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIPENTAERYTHRITYL HEXAETHYLHEXANOATE

SMILES

CCCCC(CC)C(=O)OCC(COCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC

InChI

InChIKey=IPPHBUQCGBKELK-UHFFFAOYSA-N
InChI=1S/C58H106O13/c1-13-25-31-45(19-7)51(59)66-39-57(40-67-52(60)46(20-8)32-26-14-2,41-68-53(61)47(21-9)33-27-15-3)37-65-38-58(42-69-54(62)48(22-10)34-28-16-4,43-70-55(63)49(23-11)35-29-17-5)44-71-56(64)50(24-12)36-30-18-6/h45-50H,13-44H2,1-12H3

HIDE SMILES / InChI

Molecular Formula C58H106O13
Molecular Weight 1011.4544
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
E56131A16B
Record Status Validated (UNII)
Record Version