Dimethyl lithospermate B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H34O16
Molecular Weight	746.667
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C2=CC=C(O)C3=C2[C@@H]([C@H](O3)C4=CC(O)=C(O)C=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(=O)OC

InChI

InChIKey=DHYLGBJCEGEBGQ-QHIXFNMVSA-N

InChI=1S/C38H34O16/c1-50-36(47)29(15-18-3-8-22(39)26(43)13-18)52-31(46)12-7-20-5-11-25(42)35-32(20)33(34(54-35)21-6-10-24(41)28(45)17-21)38(49)53-30(37(48)51-2)16-19-4-9-23(40)27(44)14-19/h3-14,17,29-30,33-34,39-45H,15-16H2,1-2H3/b12-7+/t29-,30-,33+,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C38H34O16
Molecular Weight	746.667
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:52:45 GMT 2025` Edited by `admin` on `Wed Apr 02 09:52:45 GMT 2025`
Record UNII	F2W52FMY8R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dimethyl lithospermate B

Common Name

English

3-Benzofurancarboxylic acid, 2-(3,4-dihydroxyphenyl)-4-[(1E)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-methoxy-2-oxoethoxy]-3-oxo-1-propenyl]-2,3-dihydro-7-hydroxy-, (1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-methoxy-2-oxoethyl ester, (2S,3S)-

Preferred Name

English

DMLSB

Common Name

English

Lithospermic acid B dimethyl ester

Common Name

English

Code System Code Type Description

PUBCHEM

11422787

Created by admin on Wed Apr 02 09:52:45 GMT 2025 , Edited by admin on Wed Apr 02 09:52:45 GMT 2025

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CAS

875313-64-7

Created by admin on Wed Apr 02 09:52:45 GMT 2025 , Edited by admin on Wed Apr 02 09:52:45 GMT 2025

PRIMARY

FDA UNII

F2W52FMY8R

Created by admin on Wed Apr 02 09:52:45 GMT 2025 , Edited by admin on Wed Apr 02 09:52:45 GMT 2025

PRIMARY

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