ASPULVINONE I

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H20O5
Molecular Weight	364.3912
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=C(O)C=CC(\C=C2/OC(=O)C(=C2O)C3=CC=C(O)C=C3)=C1

InChI

InChIKey=QCTHCQWZIGYTPK-UNOMPAQXSA-N

InChI=1S/C22H20O5/c1-13(2)3-5-16-11-14(4-10-18(16)24)12-19-21(25)20(22(26)27-19)15-6-8-17(23)9-7-15/h3-4,6-12,23-25H,5H2,1-2H3/b19-12-

HIDE SMILES / InChI

Molecular Formula	C22H20O5
Molecular Weight	364.3912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:15:55 GMT 2025` Edited by `admin` on `Mon Mar 31 21:15:55 GMT 2025`
Record UNII	5SN8YNA55X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASPULVINONE-I

Preferred Name

English

ASPULVINONE I

Common Name

English

2(5H)-FURANONE, 4-HYDROXY-5-((4-HYDROXY-3-(3-METHYL-2-BUTENYL)PHENYL)METHYLENE)-3-(4-HYDROXYPHENYL)-, (Z)-

Systematic Name

English

2(5H)-FURANONE, 4-HYDROXY-5-((4-HYDROXY-3-(3-METHYL-2-BUTENYL)PHENYL)METHYLENE)-3-(4-HYDROXYPHENYL)-, (5Z)-

Systematic Name

English

2(5H)-FURANONE, 4-HYDROXY-5-((4-HYDROXY-3-(3-METHYL-2-BUTEN-1-YL)PHENYL)METHYLENE)-3-(4-HYDROXYPHENYL)-, (5Z)-

Systematic Name

English

(5Z)-4-HYDROXY-5-((4-HYDROXY-3-(3-METHYLBUT-2-ENYL)PHENYL)METHYLENE)-3-(4-HYDROXYPHENYL)FURAN-2-ONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90716421

Created by admin on Mon Mar 31 21:15:55 GMT 2025 , Edited by admin on Mon Mar 31 21:15:55 GMT 2025

PRIMARY

CAS

61370-80-7

Created by admin on Mon Mar 31 21:15:55 GMT 2025 , Edited by admin on Mon Mar 31 21:15:55 GMT 2025

PRIMARY

PUBCHEM

90474109

Created by admin on Mon Mar 31 21:15:55 GMT 2025 , Edited by admin on Mon Mar 31 21:15:55 GMT 2025

PRIMARY

FDA UNII

5SN8YNA55X

Created by admin on Mon Mar 31 21:15:55 GMT 2025 , Edited by admin on Mon Mar 31 21:15:55 GMT 2025

PRIMARY