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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H40O5
Molecular Weight 420.5821
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAERYTHRITYL PALUSTRATE

SMILES

[H][C@@]12CCC3=C(CCC(=C3)C(C)C)[C@@]1(C)CCC[C@@]2(C)C(=O)OCC(CO)(CO)CO

InChI

InChIKey=OOMIEXIERHBKAL-GMKZXUHWSA-N
InChI=1S/C25H40O5/c1-17(2)18-6-8-20-19(12-18)7-9-21-23(20,3)10-5-11-24(21,4)22(29)30-16-25(13-26,14-27)15-28/h12,17,21,26-28H,5-11,13-16H2,1-4H3/t21-,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H40O5
Molecular Weight 420.5821
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:27:05 GMT 2023
Edited
by admin
on Sat Dec 16 08:27:05 GMT 2023
Record UNII
63U5T3H1J5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAERYTHRITYL PALUSTRATE
Common Name English
PENTAERYTHRITOL PALUSTRATE
Common Name English
(3-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL) (1R,4AS,10AR)-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,5,6,9,10,10A-OCTAHYDROPHENANTHRENE-1-CARBOXYLATE
Systematic Name English
Code System Code Type Description
FDA UNII
63U5T3H1J5
Created by admin on Sat Dec 16 08:27:05 GMT 2023 , Edited by admin on Sat Dec 16 08:27:05 GMT 2023
PRIMARY
PUBCHEM
76960539
Created by admin on Sat Dec 16 08:27:05 GMT 2023 , Edited by admin on Sat Dec 16 08:27:05 GMT 2023
PRIMARY