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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H42O17
Molecular Weight 746.7085
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAEONIFLORIN B

SMILES

[H][C@@]12C[C@@]6(O[C@]3([H])O[C@H](COC(=O)C4=CC=CC=C4)[C@@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]3O)[C@]1(COC(=O)C7=CC=CC=C7)[C@@]8([H])O[C@]2(O)C[C@]6(C)O8

InChI

InChIKey=QREQQDSOBGSTFM-XXBRTPTLSA-N
InChI=1S/C36H42O17/c1-33-15-35(45)21-12-36(33,34(21,32(52-33)53-35)16-47-29(44)18-10-6-3-7-11-18)51-31-26(42)24(40)27(50-30-25(41)23(39)22(38)19(13-37)48-30)20(49-31)14-46-28(43)17-8-4-2-5-9-17/h2-11,19-27,30-32,37-42,45H,12-16H2,1H3/t19-,20-,21-,22-,23+,24-,25-,26-,27-,30+,31+,32-,33+,34+,35-,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H42O17
Molecular Weight 746.7085
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 Sat Dec 16 09:13:23 UTC 2023
Edited
by admin
on Sat Dec 16 09:13:23 UTC 2023
Record UNII
0WR0ZSG99C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAEONIFLORIN B
Common Name English
Code System Code Type Description
FDA UNII
0WR0ZSG99C
Created by admin on Sat Dec 16 09:13:23 UTC 2023 , Edited by admin on Sat Dec 16 09:13:23 UTC 2023
PRIMARY
PUBCHEM
71452334
Created by admin on Sat Dec 16 09:13:23 UTC 2023 , Edited by admin on Sat Dec 16 09:13:23 UTC 2023
PRIMARY
CAS
1415091-25-6
Created by admin on Sat Dec 16 09:13:23 UTC 2023 , Edited by admin on Sat Dec 16 09:13:23 UTC 2023
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 2.29 ? 0.12 (mM) and for AP50, to produce no inhibitory effect respectively.