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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16O5
Molecular Weight 276.2845
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASCOCHITINE

SMILES

CC[C@H](C)C1=C(C)C2=CC(=O)C(C(O)=O)=C(O)C2=CO1

InChI

InChIKey=DZBCEUTUWOWUDY-ZETCQYMHSA-N
InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H16O5
Molecular Weight 276.2845
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:38:01 GMT 2023
Edited
by admin
on Fri Dec 15 18:38:01 GMT 2023
Record UNII
CO17L3VWWJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASCOCHITINE
Common Name English
6H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 3-SEC-BUTYL-8-HYDROXY-4-METHYL-6-OXO-, (S)-(-)-
Common Name English
6H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 8-HYDROXY-4-METHYL-3-((1S)-1-METHYLPROPYL)-6-OXO-
Common Name English
NSC-114344
Code English
ASCOCHITIN
Common Name English
6H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 8-HYDROXY-4-METHYL-3-(1-METHYLPROPYL)-6-OXO-, (S)-
Common Name English
ASCOCHYTIN
Common Name English
Code System Code Type Description
CAS
3615-05-2
Created by admin on Fri Dec 15 18:38:01 GMT 2023 , Edited by admin on Fri Dec 15 18:38:01 GMT 2023
PRIMARY
FDA UNII
CO17L3VWWJ
Created by admin on Fri Dec 15 18:38:01 GMT 2023 , Edited by admin on Fri Dec 15 18:38:01 GMT 2023
PRIMARY
PUBCHEM
73486
Created by admin on Fri Dec 15 18:38:01 GMT 2023 , Edited by admin on Fri Dec 15 18:38:01 GMT 2023
PRIMARY
NSC
114344
Created by admin on Fri Dec 15 18:38:01 GMT 2023 , Edited by admin on Fri Dec 15 18:38:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID80957563
Created by admin on Fri Dec 15 18:38:01 GMT 2023 , Edited by admin on Fri Dec 15 18:38:01 GMT 2023
PRIMARY