DEMETHYLASTERRIQUINONE B1

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H30N2O4
Molecular Weight	506.5916
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=CC=CC2=C1NC=C2C3=C(O)C(=O)C(C4=C(NC5=C4C=CC=C5)C(C)(C)C=C)=C(O)C3=O

InChI

InChIKey=XMGNJVXBPZAETK-UHFFFAOYSA-N

InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,33-35,38H,1,15H2,2-5H3

HIDE SMILES / InChI

Molecular Formula	C32H30N2O4
Molecular Weight	506.5916
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 22:30:43 GMT 2025` Edited by `admin` on `Mon Mar 31 22:30:43 GMT 2025`
Record UNII	F6582H6JQW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEMETHYLASTERRIQUINONE B1

Common Name

English

DIMETHYLASTERRIQUINONE

Preferred Name

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-(2-(1,1-DIMETHYL-2-PROPEN-1-YL)-1H-INDOL-3-YL)-3,6-DIHYDROXY-5-(7-(3-METHYL-2-BUTEN-1-YL)-1H-INDOL-3-YL)-

Systematic Name

English

L-783281

Code

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-(2-(1,1-DIMETHYL-2-PROPENYL)-1H-INDOL-3-YL)-3,6-DIHYDROXY-5-(7-(3-METHYL-2-BUTENYL)-1H-INDOL-3-YL)-

Systematic Name

English

L783281

Code

English

Code System Code Type Description

FDA UNII

F6582H6JQW