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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H21NO4
Molecular Weight 267.3208
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPERSITIN

SMILES

CC[C@H](C)C(=O)C1=C(N)[C@@](C)(O)C(=O)C(C)=C1OC

InChI

InChIKey=UYJPMNCMOPWWNM-JKYUHCHBSA-N
InChI=1S/C14H21NO4/c1-6-7(2)10(16)9-11(19-5)8(3)13(17)14(4,18)12(9)15/h7,18H,6,15H2,1-5H3/t7-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H21NO4
Molecular Weight 267.3208
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:19:47 GMT 2025
Edited
by admin
on Tue Apr 01 17:19:47 GMT 2025
Record UNII
Y2FGX783X7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASPERSITIN
Common Name English
2,4-CYCLOHEXADIEN-1-ONE, 5-AMINO-6-HYDROXY-3-METHOXY-2,6-DIMETHYL-4-((2S)-2-METHYL-1-OXOBUTYL)-, (6R)-
Preferred Name English
2,4-CYCLOHEXADIEN-1-ONE, 5-AMINO-6-HYDROXY-3-METHOXY-2,6-DIMETHYL-4-(2-METHYL-1-OXOBUTYL)-, (R-(R*,S*))-
Systematic Name English
Code System Code Type Description
CAS
86996-89-6
Created by admin on Tue Apr 01 17:19:47 GMT 2025 , Edited by admin on Tue Apr 01 17:19:47 GMT 2025
PRIMARY
FDA UNII
Y2FGX783X7
Created by admin on Tue Apr 01 17:19:47 GMT 2025 , Edited by admin on Tue Apr 01 17:19:47 GMT 2025
PRIMARY
PUBCHEM
101294918
Created by admin on Tue Apr 01 17:19:47 GMT 2025 , Edited by admin on Tue Apr 01 17:19:47 GMT 2025
PRIMARY