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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32O14.H2O
Molecular Weight 610.5606
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINARIN MONOHYDRATE

SMILES

O.COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O

InChI

InChIKey=TZLFRSACGNMHGR-XXEYUJNWSA-N
InChI=1S/C28H32O14.H2O/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12;/h3-9,11,19,21-29,31-36H,10H2,1-2H3;1H2/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+;/m0./s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C28H32O14
Molecular Weight 592.5453
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:23:55 GMT 2023
Edited
by admin
on Sat Dec 16 11:23:55 GMT 2023
Record UNII
69ZJ529UBI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINARIN MONOHYDRATE
MI  
Common Name English
7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, MONOHYDRATE
Common Name English
LINARIN MONOHYDRATE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
91617642
Created by admin on Sat Dec 16 11:23:55 GMT 2023 , Edited by admin on Sat Dec 16 11:23:55 GMT 2023
PRIMARY
MERCK INDEX
m6823
Created by admin on Sat Dec 16 11:23:55 GMT 2023 , Edited by admin on Sat Dec 16 11:23:55 GMT 2023
PRIMARY Merck Index
FDA UNII
69ZJ529UBI
Created by admin on Sat Dec 16 11:23:55 GMT 2023 , Edited by admin on Sat Dec 16 11:23:55 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE