THERMORUBIN B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H26O12
Molecular Weight	614.5523
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(OC)=C3C(C=C4C=C(CC(O)=O)C(C(=O)\C=C(/O)C5=CC=CC=C5O)=C(OC)C4=C3OC)=C2

InChI

InChIKey=FZUXCVFGNIBIRI-STZFKDTASA-N

InChI=1S/C33H26O12/c1-41-29-25(22(36)14-21(35)19-7-5-6-8-20(19)34)18(13-24(37)38)11-16-9-15-10-17-12-23(32(39)44-4)45-33(40)28(17)31(43-3)27(15)30(42-2)26(16)29/h5-12,14,34-35H,13H2,1-4H3,(H,37,38)/b21-14-

HIDE SMILES / InChI

Molecular Formula	C33H26O12
Molecular Weight	614.5523
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 `Sat Dec 16 01:01:54 GMT 2023` Edited by `admin` on `Sat Dec 16 01:01:54 GMT 2023`
Record UNII	FN1BY86W8U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

THERMORUBIN B

Common Name

English

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

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80170614

Created by admin on Sat Dec 16 01:01:54 GMT 2023 , Edited by admin on Sat Dec 16 01:01:54 GMT 2023

PRIMARY

FDA UNII

FN1BY86W8U

Created by admin on Sat Dec 16 01:01:54 GMT 2023 , Edited by admin on Sat Dec 16 01:01:54 GMT 2023

PRIMARY

PUBCHEM

71587585

Created by admin on Sat Dec 16 01:01:54 GMT 2023 , Edited by admin on Sat Dec 16 01:01:54 GMT 2023

PRIMARY

CAS

178924-89-5

Created by admin on Sat Dec 16 01:01:54 GMT 2023 , Edited by admin on Sat Dec 16 01:01:54 GMT 2023

PRIMARY