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Details

Stereochemistry EPIMERIC
Molecular Formula C23H36O4
Molecular Weight 376.5295
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLYCERYL 1-ISOPIMARATE

SMILES

[H][C@]12CC[C@@](C)(CC1=CC[C@@]3([H])[C@@](C)(CCC[C@]23C)C(=O)OCC(O)CO)C=C

InChI

InChIKey=UBXXHUHBKJJLRP-KKWFTXCGSA-N
InChI=1S/C23H36O4/c1-5-21(2)12-9-18-16(13-21)7-8-19-22(18,3)10-6-11-23(19,4)20(26)27-15-17(25)14-24/h5,7,17-19,24-25H,1,6,8-15H2,2-4H3/t17?,18-,19+,21-,22+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H36O4
Molecular Weight 376.5295
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:27:57 GMT 2023
Edited
by admin
on Sat Dec 16 13:27:57 GMT 2023
Record UNII
5C8C7QWE6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCERYL 1-ISOPIMARATE
Common Name English
1-PHENANTHRENECARBOXYLIC ACID, 7-ETHENYL-1,2,3,4,4A,4B,5,6,7,8,10,10A-DODECAHYDRO-1,4A,7-TRIMETHYL-, 2,3-DIHYDROXYPROPYL ESTER, (1R,4AR,4BS,7S,10AR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
126961387
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
FDA UNII
5C8C7QWE6E
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
CAS
1700652-04-5
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY