Kadsurenone, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H24O5
Molecular Weight	356.4123
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=VDYACOATPFOZIO-JDORSLCVSA-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+/m0/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 `Wed Apr 02 12:06:59 GMT 2025` Edited by `admin` on `Wed Apr 02 12:06:59 GMT 2025`
Record UNII	K22GK54ZHD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Kadsurenone, (±)-

Common Name

English

(±)-Kadsurenone

Preferred Name

English

rel-(2R,3S,3aR)-2-(3,4-Dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone

Systematic Name

English

6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-, (2?,3?,3a?)-

Systematic Name

English

6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-, (2?,3?,3a?)-(±)-

Systematic Name

English

6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propen-1-yl)-, (2R,3S,3aR)-rel-

Systematic Name

English

Code System Code Type Description

FDA UNII

K22GK54ZHD

Created by admin on Wed Apr 02 12:06:59 GMT 2025 , Edited by admin on Wed Apr 02 12:06:59 GMT 2025

PRIMARY

CAS

104265-75-0

Created by admin on Wed Apr 02 12:06:59 GMT 2025 , Edited by admin on Wed Apr 02 12:06:59 GMT 2025

PRIMARY

Related Record Type Details


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Kadsurenone, (+)-

ENANTIOMER -> RACEMATE

Amount: