THERMORUBIN A

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H24O12
Molecular Weight	600.5258
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=CC2=C(C(=O)O1)C(O)=C3C(C=C4C=C(CC(O)=O)C(C(=O)\C=C(/O)C5=CC=CC=C5O)=C(OC)C4=C3OC)=C2

InChI

InChIKey=GGEDVBUCHDZLTH-MOSHPQCFSA-N

InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13-

HIDE SMILES / InChI

Molecular Formula	C32H24O12
Molecular Weight	600.5258
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:52 GMT 2023` Edited by `admin` on `Fri Dec 15 19:50:52 GMT 2023`
Record UNII	UE3QVK518U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

THERMORUBIN A

Common Name

English

1H-ANTHRA(2,3-C)PYRAN-8-ACETIC ACID, 12-HYDROXY-9-(3-HYDROXY-3-(2-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-10,11-DIMETHOXY-3-(METHOXYCARBONYL)-1-OXO-

Common Name

English

Code System Code Type Description

CAS

37577-75-6

Created by admin on Fri Dec 15 19:50:52 GMT 2023 , Edited by admin on Fri Dec 15 19:50:52 GMT 2023

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EPA CompTox

DTXSID201100964

Created by admin on Fri Dec 15 19:50:52 GMT 2023 , Edited by admin on Fri Dec 15 19:50:52 GMT 2023

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PUBCHEM

5458199

Created by admin on Fri Dec 15 19:50:52 GMT 2023 , Edited by admin on Fri Dec 15 19:50:52 GMT 2023

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FDA UNII

UE3QVK518U

Created by admin on Fri Dec 15 19:50:52 GMT 2023 , Edited by admin on Fri Dec 15 19:50:52 GMT 2023

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