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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24O9
Molecular Weight 432.4206
Optical Activity ( + )
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Medicocarpin, (+)-

SMILES

COC1=CC2=C(C=C1)[C@H]3COC4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC=C4[C@H]3O2

InChI

InChIKey=PVEMGMOWXQUWRD-UHGNYUERSA-N
InChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3/t14-,17-,18-,19+,20-,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24O9
Molecular Weight 432.4206
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:45:02 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:02 GMT 2025
Record UNII
EVH5J85WTG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-Medicocarpin
Preferred Name English
Medicocarpin, (+)-
Common Name English
?-D-Glucopyranoside, (6aS,11aS)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-yl
Common Name English
(2S,3R,4S,5S,6R)-2-[[(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Systematic Name English
(6aS,11aS)-6a,11a-Dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-yl ?-D-glucopyranoside
Common Name English
Code System Code Type Description
CAS
67008-88-2
Created by admin on Wed Apr 02 17:45:02 GMT 2025 , Edited by admin on Wed Apr 02 17:45:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID30217205
Created by admin on Wed Apr 02 17:45:02 GMT 2025 , Edited by admin on Wed Apr 02 17:45:02 GMT 2025
PRIMARY
PUBCHEM
181861
Created by admin on Wed Apr 02 17:45:02 GMT 2025 , Edited by admin on Wed Apr 02 17:45:02 GMT 2025
PRIMARY
FDA UNII
EVH5J85WTG
Created by admin on Wed Apr 02 17:45:02 GMT 2025 , Edited by admin on Wed Apr 02 17:45:02 GMT 2025
PRIMARY
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