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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20O4
Molecular Weight 276.3276
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of ASPERTETRONIN A, (R)-(-)-

SMILES

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

InChI

InChIKey=KRKRNFJPWDGGGZ-HWUMOQEJSA-N
InChI=1S/C16H20O4/c1-5-7-8-9-11-16(3)14(17)13(15(18)19-4)12(20-16)10-6-2/h6-11H,5H2,1-4H3/b8-7+,10-6+,11-9+/t16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ASPERTETRONIN A, (R)-(-)-
Common Name English
(-)-GREGATIN A
Common Name English
3(2H)-FURANONE, 2-(1,3-HEXADIENYL)-5-METHOXY-2-METHYL-4-(1-OXO-2-BUTENYL)-, (E,E,E)-(-)-
Systematic Name English
3-FURANCARBOXYLIC ACID, 5-(1E,3E)-1,3-HEXADIEN-1-YL-4,5-DIHYDRO-5-METHYL-4-OXO-2-(1E)-1-PROPEN-1-YL-, METHYL ESTER, (5R)-
Systematic Name English
ANTIBIOTIC 704I
Common Name English
(R)-(-)-ASPERTETRONIN A
Common Name English
GREGATIN A
Common Name English
ENT-ASPERTETRONIN A
Common Name English
Code System Code Type Description
CAS
65794-79-8
Created by admin on Sat Dec 16 18:41:21 GMT 2023 , Edited by admin on Sat Dec 16 18:41:21 GMT 2023
PRIMARY
PUBCHEM
162623562
Created by admin on Sat Dec 16 18:41:21 GMT 2023 , Edited by admin on Sat Dec 16 18:41:21 GMT 2023
PRIMARY
FDA UNII
P2RQY3DNX6
Created by admin on Sat Dec 16 18:41:21 GMT 2023 , Edited by admin on Sat Dec 16 18:41:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID401033563
Created by admin on Sat Dec 16 18:41:21 GMT 2023 , Edited by admin on Sat Dec 16 18:41:21 GMT 2023
PRIMARY