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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 GREGATIN D

SMILES

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

InChI

InChIKey=HAMHQIABIFPOMB-YCXXMOIZSA-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

Approval Year

Name Type Language
GREGATIN D
Common Name English
(+)-GREGATIN D
Common Name English
ENT-ASPERTETRONIN B
Common Name English
METHYL (5R)-5-(1E,3E)-1,3-HEXADIEN-1-YL-4,5-DIHYDRO-2-((2R)-2-HYDROXYPROPYL)-5-METHYL-4-OXO-3-FURANCARBOXYLATE
Systematic Name English
2''-EPI-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, (5R)-
Systematic Name English
Code System Code Type Description
FDA UNII
2EJC7J266F
Created by admin on Sat Dec 16 18:42:34 GMT 2023 , Edited by admin on Sat Dec 16 18:42:34 GMT 2023
PRIMARY
CAS
65831-50-7
Created by admin on Sat Dec 16 18:42:34 GMT 2023 , Edited by admin on Sat Dec 16 18:42:34 GMT 2023
PRIMARY
PUBCHEM
162624014
Created by admin on Sat Dec 16 18:42:34 GMT 2023 , Edited by admin on Sat Dec 16 18:42:34 GMT 2023
PRIMARY