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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H42O18
Molecular Weight 762.7079
Optical Activity ( - )
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Suffrupaeoniflorin A

SMILES

C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]5(COC(=O)C4=CC=C(O)C=C4)[C@H]3C[C@]25O[C@@H]6O[C@H](COC(=O)C7=CC=CC=C7)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O

InChI

InChIKey=VPVGENHRANUECH-XXBRTPTLSA-N
InChI=1S/C36H42O18/c1-33-14-35(46)21-11-36(33,34(21,32(53-33)54-35)15-48-29(45)17-7-9-18(38)10-8-17)52-31-26(43)24(41)27(51-30-25(42)23(40)22(39)19(12-37)49-30)20(50-31)13-47-28(44)16-5-3-2-4-6-16/h2-10,19-27,30-32,37-43,46H,11-15H2,1H3/t19-,20-,21-,22-,23+,24-,25-,26-,27-,30+,31+,32-,33+,34+,35-,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H42O18
Molecular Weight 762.7079
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:59:19 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:19 GMT 2025
Record UNII
EN7FJ368H4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Suffrupaeoniflorin A
Common Name English
?-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl 4-O-?-D-glucopyranosyl-, 6-benzoate
Preferred Name English
Code System Code Type Description
FDA UNII
EN7FJ368H4
Created by admin on Mon Mar 31 21:59:19 GMT 2025 , Edited by admin on Mon Mar 31 21:59:19 GMT 2025
PRIMARY
CAS
1528763-52-1
Created by admin on Mon Mar 31 21:59:19 GMT 2025 , Edited by admin on Mon Mar 31 21:59:19 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Anticomplement Activity (50% hemolytic inhibition) through the Classical Pathway (CP) and Alternative Pathway (AP) for compound tested was found to be CH50 = 0.33 ? 0.04 (mM) and AP50 = 0.43 ? 0.03 (mM) respectively.