SENNIDIN A

Details

Stereochemistry	UNKNOWN
Molecular Formula	C30H18O10
Molecular Weight	538.4579
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(C2=CC=CC(O)=C2C(=O)C3=C(O)C=C(C=C13)C(O)=O)[C@]4([H])C5=CC=CC(O)=C5C(=O)C6=C(O)C=C(C=C46)C(O)=O

InChI

InChIKey=JPMRHWLJLNKRTJ-FGZHOGPDSA-N

InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H18O10
Molecular Weight	538.4579
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:05:18 GMT 2023` Edited by `admin` on `Sat Dec 16 09:05:18 GMT 2023`
Record UNII	O8793FIM31
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SENNIDIN A

Common Name

English

(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID, 9,9',10,10'-TETRAHYDRO-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-, (R*,R*)-(+)-

Systematic Name

English

(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID, 9,9',10,10'-TETRAHYDRO-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-, (9R,9'R)-REL-(+)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID601318488