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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H22O12
Molecular Weight 538.4564
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LITHOSPERMIC ACID

SMILES

OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=C3[C@@H]([C@H](OC3=C(O)C=C2)C4=CC=C(O)C(O)=C4)C(O)=O

InChI

InChIKey=UJZQBMQZMKFSRV-RGKBJLTCSA-N
InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23+,24-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
A search for anti-viral properties in Panamanian medicinal plants. The effects on HIV and its essential enzymes.
1999 Jan
Patents
Name Type Language
LITHOSPERMIC ACID
Common Name English
3-BENZOFURANCARBOXYLIC ACID, 4-((1E)-3-((1R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXO-1-PROPENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S,3S)-
Common Name English
(+)-LITHOSPERMIC ACID
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-
Common Name English
3-BENZOFURANCARBOXYLIC ACID, 4-((1E)-3-((1R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXO-1-PROPEN-1-YL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S,3S)-
Common Name English
LITHOSPERMIC ACID, (+)-
Common Name English
LITHOSPERMIC ACID A
Common Name English
4-(3-(1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXO-1-PROPENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-3-BENZOFURANCARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
28831-65-4
Created by admin on Fri Dec 15 21:40:25 GMT 2023 , Edited by admin on Fri Dec 15 21:40:25 GMT 2023
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FDA UNII
100IP83JAC
Created by admin on Fri Dec 15 21:40:25 GMT 2023 , Edited by admin on Fri Dec 15 21:40:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID701314665
Created by admin on Fri Dec 15 21:40:25 GMT 2023 , Edited by admin on Fri Dec 15 21:40:25 GMT 2023
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PUBCHEM
6441498
Created by admin on Fri Dec 15 21:40:25 GMT 2023 , Edited by admin on Fri Dec 15 21:40:25 GMT 2023
PRIMARY