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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22O5
Molecular Weight 294.3429
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ENT-GREGATIN C

SMILES

CC\C=C\C=C\[C@]1(C)OC(C[C@@H](C)O)=C(C(=O)OC)C1=O

InChI

InChIKey=HAMHQIABIFPOMB-MTPUVQEPSA-N
InChI=1S/C16H22O5/c1-5-6-7-8-9-16(3)14(18)13(15(19)20-4)12(21-16)10-11(2)17/h6-9,11,17H,5,10H2,1-4H3/b7-6+,9-8+/t11-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H22O5
Molecular Weight 294.3429
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:42:20 GMT 2023
Edited
by admin
on Sat Dec 16 18:42:20 GMT 2023
Record UNII
LQW2L83HQC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENT-GREGATIN C
Common Name English
(5S,2''R)-(-)-GREGATIN C
Common Name English
3-FURANCARBOXYLIC ACID, 5-(1E,3E)-1,3-HEXADIEN-1-YL-4,5-DIHYDRO-2-((2R)-2-HYDROXYPROPYL)-5-METHYL-4-OXO-, METHYL ESTER, (5S)-
Systematic Name English
METHYL (5S)-5-(1E,3E)-1,3-HEXADIEN-1-YL-4,5-DIHYDRO-2-((2R)-2-HYDROXYPROPYL)-5-METHYL-4-OXO-3-FURANCARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
60171519
Created by admin on Sat Dec 16 18:42:20 GMT 2023 , Edited by admin on Sat Dec 16 18:42:20 GMT 2023
PRIMARY
CAS
1402841-46-6
Created by admin on Sat Dec 16 18:42:20 GMT 2023 , Edited by admin on Sat Dec 16 18:42:20 GMT 2023
PRIMARY
FDA UNII
LQW2L83HQC
Created by admin on Sat Dec 16 18:42:20 GMT 2023 , Edited by admin on Sat Dec 16 18:42:20 GMT 2023
PRIMARY