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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, (S)-(+)-

SMILES

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

InChI

InChIKey=KRKRNFJPWDGGGZ-GZDDBBODSA-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-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20O4
Molecular Weight 276.3276
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:16:27 GMT 2025
Edited
by admin
on Mon Mar 31 21:16:27 GMT 2025
Record UNII
Q5R99EG9GN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASPERTETRONIN A, (S)-(+)-
Common Name English
(+)-ASPERTERONIN A
Preferred Name English
ASPERTETRONIN A
Common Name English
(S)-(+)-ASPERTETRONIN A
Common Name English
ASPERTETRONIN-A
Common Name English
(+)-5-((1E,3E)-1,3-HEXADIENYL)-4-METHOXY-5-METHYL-3-((E)-1-OXO-2-BUTENYL)FURAN-2(5H)-ONE
Systematic Name English
(S)-(+)-GREGATIN A
Common Name English
12-DEOXYPENICILLIOL A
Common Name English
ENT-GREGATIN A
Common Name English
METHYL (5S)-5-((1E,3E)-HEXA-1,3-DIENYL)-5-METHYL-4-OXO-2-((E)-PROP-1-ENYL)FURAN-3-CARBOXYLATE
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, (+)-
Systematic Name English
Code System Code Type Description
PUBCHEM
12308691
Created by admin on Mon Mar 31 21:16:27 GMT 2025 , Edited by admin on Mon Mar 31 21:16:27 GMT 2025
PRIMARY
CAS
21494-09-7
Created by admin on Mon Mar 31 21:16:27 GMT 2025 , Edited by admin on Mon Mar 31 21:16:27 GMT 2025
PRIMARY
FDA UNII
Q5R99EG9GN
Created by admin on Mon Mar 31 21:16:27 GMT 2025 , Edited by admin on Mon Mar 31 21:16:27 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER