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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24O5
Molecular Weight 356.4123
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Kadsurenone, (+)-

SMILES

COC1=CC=C(C=C1OC)[C@H]2OC3=CC(=O)C(CC=C)=C[C@]3(OC)[C@@H]2C

InChI

InChIKey=VDYACOATPFOZIO-UBWHGVKJSA-N
InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24O5
Molecular Weight 356.4123
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:49:18 GMT 2025
Edited
by admin
on Mon Mar 31 22:49:18 GMT 2025
Record UNII
DZY9CV5VH7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Kadsurenone, (+)-
Common Name English
KADSURENONE
Preferred Name English
(2S,3R,3aS)-2-(3,4-Dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone
Systematic Name English
Kadsurenone A
Common Name English
6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propen-1-yl)-, (2S,3R,3aS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
122159
Created by admin on Mon Mar 31 22:49:18 GMT 2025 , Edited by admin on Mon Mar 31 22:49:18 GMT 2025
PRIMARY
FDA UNII
DZY9CV5VH7
Created by admin on Mon Mar 31 22:49:18 GMT 2025 , Edited by admin on Mon Mar 31 22:49:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID90914788
Created by admin on Mon Mar 31 22:49:18 GMT 2025 , Edited by admin on Mon Mar 31 22:49:18 GMT 2025
PRIMARY
CAS
95851-37-9
Created by admin on Mon Mar 31 22:49:18 GMT 2025 , Edited by admin on Mon Mar 31 22:49:18 GMT 2025
PRIMARY
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