NORBADIONE A

Details

Stereochemistry	ACHIRAL
Molecular Formula	C35H18O15
Molecular Weight	678.5084
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(=C1\OC(=O)C(=C1O)C2=CC3=C4C(OC3=O)=C(O)C=C(C5=C(O)\C(OC5=O)=C(/C(O)=O)C6=CC=C(O)C=C6)C4=C2)\C7=CC=C(O)C=C7

InChI

InChIKey=NEAFOYGNZAYARY-KBWMUOTDSA-N

InChI=1S/C35H18O15/c36-15-5-1-12(2-6-15)22(31(41)42)29-26(39)21(34(46)49-29)14-9-17-18(11-20(38)28-24(17)19(10-14)33(45)48-28)25-27(40)30(50-35(25)47)23(32(43)44)13-3-7-16(37)8-4-13/h1-11,36-40H,(H,41,42)(H,43,44)/b29-22+,30-23+

HIDE SMILES / InChI

Molecular Formula	C35H18O15
Molecular Weight	678.5084
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:24:53 GMT 2023` Edited by `admin` on `Sat Dec 16 17:24:53 GMT 2023`
Record UNII	8DH6BNL8BA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NORBADIONE A

Common Name

English

BENZENEACETIC ACID, .ALPHA.,.ALPHA.-((8-HYDROXY-2-OXO-2H-NAPHTHO(1,8-BC)FURAN-4,6-DIYL)BIS(3-HYDROXY-5-OXO-4-FURANYL-2(5H)-YLIDENE))BIS(4-HYDROXY-, (E,E)-

Systematic Name

English

BENZENEACETIC ACID, .ALPHA.,.ALPHA.-((8-HYDROXY-2-OXO-2H-NAPHTHO(1,8-BC)FURAN-4,6-DIYL)BIS(3-HYDROXY-5-OXO-4-FURANYL-2(5H)-YLIDENE))BIS(4-HYDROXY-, (.ALPHA.E,.ALPHA.E)-

Systematic Name

English

(.ALPHA.E,.ALPHA.E)-.ALPHA.,.ALPHA.-((8-HYDROXY-2-OXO-2H-NAPHTHO(1,8-BC)FURAN-4,6-DIYL)BIS(3-HYDROXY-5-OXO-4-FURANYL-2(5H)-YLIDENE))BIS(4-HYDROXYBENZENEACETIC ACID)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID301045531