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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H40O5
Molecular Weight 420.5821
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAERYTHRITYL PIMARATE

SMILES

[H][C@]12CC[C@@](C)(C=C)C=C1CC[C@@]3([H])[C@@](C)(CCC[C@]23C)C(=O)OCC(CO)(CO)CO

InChI

InChIKey=POPNZVGTOLNBDK-DGWCAWEPSA-N
InChI=1S/C25H40O5/c1-5-22(2)12-9-19-18(13-22)7-8-20-23(19,3)10-6-11-24(20,4)21(29)30-17-25(14-26,15-27)16-28/h5,13,19-20,26-28H,1,6-12,14-17H2,2-4H3/t19-,20+,22+,23+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H40O5
Molecular Weight 420.5821
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:27:06 GMT 2023
Edited
by admin
on Sat Dec 16 08:27:06 GMT 2023
Record UNII
666U681F17
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAERYTHRITYL PIMARATE
Common Name English
(1R,4AR,4BS,7S,10AR)-3-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL 1,4A,7-TRIMETHYL-7-VINYL-1,2,3,4,4A,4B,5,6,7,9,10,10A-DODECAHYDROPHENANTHRENE-1-CARBOXYLATE
Systematic Name English
PENTAERYTHRITOL PIMARATE
Common Name English
Code System Code Type Description
PUBCHEM
76967878
Created by admin on Sat Dec 16 08:27:06 GMT 2023 , Edited by admin on Sat Dec 16 08:27:06 GMT 2023
PRIMARY
FDA UNII
666U681F17
Created by admin on Sat Dec 16 08:27:06 GMT 2023 , Edited by admin on Sat Dec 16 08:27:06 GMT 2023
PRIMARY