Kadsurenone, (+)-

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 Search

SMILES

COC1=C(OC)C=C(C=C1)[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 `Sat Dec 16 09:44:19 GMT 2023` Edited by `admin` on `Sat Dec 16 09:44:19 GMT 2023`
Record UNII	DZY9CV5VH7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Kadsurenone, (+)-

Common 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

KADSURENONE

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 Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023

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FDA UNII

DZY9CV5VH7

Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023

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EPA CompTox

DTXSID90914788

Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023

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CAS

95851-37-9

Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023

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