p-Aspidin

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H32O8
Molecular Weight	460.5168
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)C1=C(O)C(C)=C(OC)C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)=C1O

InChI

InChIKey=CMKHZPXDAXVNES-UHFFFAOYSA-N

InChI=1S/C25H32O8/c1-7-9-15(26)17-19(28)12(3)22(33-6)13(20(17)29)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-29,31-32H,7-11H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C25H32O8
Molecular Weight	460.5168
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:05:39 GMT 2025` Edited by `admin` on `Mon Mar 31 20:05:39 GMT 2025`
Record UNII	PEU4NN4UZ8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

p-Aspidin

Common Name

English

p-Aspidin BB

Preferred Name

English

2,5-Cyclohexadien-1-one, 2-[[2,4-dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-

Systematic Name

English

para-Aspidin

Common Name

English

Butyrophenone, 3?-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2?,6?-dihydroxy-4?-methoxy-5?-methyl-

Systematic Name

English

para-Aspidin BB

Common Name

English

2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one

Systematic Name

English

Code System Code Type Description

CAS

989-54-8

Created by admin on Mon Mar 31 20:05:39 GMT 2025 , Edited by admin on Mon Mar 31 20:05:39 GMT 2025

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FDA UNII

PEU4NN4UZ8

Created by admin on Mon Mar 31 20:05:39 GMT 2025 , Edited by admin on Mon Mar 31 20:05:39 GMT 2025

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PUBCHEM

13808

Created by admin on Mon Mar 31 20:05:39 GMT 2025 , Edited by admin on Mon Mar 31 20:05:39 GMT 2025

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EPA CompTox

DTXSID60912998

Created by admin on Mon Mar 31 20:05:39 GMT 2025 , Edited by admin on Mon Mar 31 20:05:39 GMT 2025

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