MAGNESIUM LITHOSPERMATE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H28O16.Mg
Molecular Weight	740.9029
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Mg++].OC1=CC=C(\C=C\C(=O)O[C@H](CC2=CC=C(O)C(O)=C2)C([O-])=O)C3=C1O[C@@H]([C@H]3C(=O)O[C@H](CC4=CC=C(O)C(O)=C4)C([O-])=O)C5=CC(O)=C(O)C=C5

InChI

InChIKey=ANUBYMNVOPVATP-LKYMKJHQSA-L

InChI=1S/C36H30O16.Mg/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17;/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48);/q;+2/p-2/b10-5+;/t27-,28-,31+,32-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C36H28O16
Molecular Weight	716.5979
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	Mg
Molecular Weight	24.305
Charge	2
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:42:51 GMT 2025` Edited by `admin` on `Mon Mar 31 22:42:51 GMT 2025`
Record UNII	8V4R1E4C5Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MAGNESIUM SALVIANOLATE B

Preferred Name

English

MAGNESIUM LITHOSPERMATE B

Official Name

English

MAGNESIUM TANSHINOATE B

Common Name

English

MAGNESIUM, ((1R)-1-(CARBOXY-.KAPPA.O)-2-(3,4-DIHYDROXYPHENYL)ETHYL (2S,3S)-4-((1E)-3-((1R)-1-(CARBOXY-.KAPPA.O)-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-(OXO-.KAPPA.O)-1-PROPENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-3-BENZOFURANCARBOXYLATO(2-)-.KAPPA.O

Systematic Name

English

Magnesium tanshinoate B [WHO-DD]

Common Name

English

3-BENZOFURANCARBOXYLIC ACID, 4-(3-(1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXO-1-PROPENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-, 1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHYL ESTER, MAGNESIUM COMPLEX, (2S-(2.ALPHA.,3.BETA.(S*),4(E(S*))))-

Systematic Name

English

Code System Code Type Description

SMS_ID

100000177515