SALVIANOLIC ACID E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H30O16
Molecular Weight	718.6138
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C2=C(/C(=C\C3=CC(O)=C(O)C=C3)C(=O)O[C@H](CC4=CC(O)=C(O)C=C4)C(O)=O)C(O)=C(O)C=C2

InChI

InChIKey=SOXUSBQFIOBYJU-VPIXDIMLSA-N

InChI=1S/C36H30O16/c37-22-6-1-17(12-26(22)41)11-21(36(50)52-30(35(48)49)16-19-3-8-24(39)28(43)14-19)32-20(4-9-25(40)33(32)45)5-10-31(44)51-29(34(46)47)15-18-2-7-23(38)27(42)13-18/h1-14,29-30,37-43,45H,15-16H2,(H,46,47)(H,48,49)/b10-5+,21-11+/t29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H30O16
Molecular Weight	718.6138
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:09:40 GMT 2023` Edited by `admin` on `Sat Dec 16 08:09:40 GMT 2023`
Record UNII	BH4J9161YU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SALVIANOLIC ACID E

Common Name

English

BENZENEPROPANOIC ACID, .ALPHA.-(((2E)-3-(2-((1E)-1-(((1R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)CARBONYL)-2-(3,4-DIHYDROXYPHENYL)ETHENYL)-3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,4-DIHYDROXY-, (.ALPHA.R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

BH4J9161YU

Created by admin on Sat Dec 16 08:09:40 GMT 2023 , Edited by admin on Sat Dec 16 08:09:40 GMT 2023

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PUBCHEM

86278266

Created by admin on Sat Dec 16 08:09:40 GMT 2023 , Edited by admin on Sat Dec 16 08:09:40 GMT 2023

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CAS

142998-46-7

Created by admin on Sat Dec 16 08:09:40 GMT 2023 , Edited by admin on Sat Dec 16 08:09:40 GMT 2023

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