PAEONIFLORIN B

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 Search

SMILES

C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]5(COC(=O)C4=CC=CC=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=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 `Mon Mar 31 22:34:45 GMT 2025` Edited by `admin` on `Mon Mar 31 22:34:45 GMT 2025`
Record UNII	0WR0ZSG99C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PAEONIFLORIN B

Preferred Name

English

Code System Code Type Description

FDA UNII

0WR0ZSG99C

Created by admin on Mon Mar 31 22:34:45 GMT 2025 , Edited by admin on Mon Mar 31 22:34:45 GMT 2025

PRIMARY

PUBCHEM

71452334

Created by admin on Mon Mar 31 22:34:45 GMT 2025 , Edited by admin on Mon Mar 31 22:34:45 GMT 2025

PRIMARY

CAS

1415091-25-6

Created by admin on Mon Mar 31 22:34:45 GMT 2025 , Edited by admin on Mon Mar 31 22:34:45 GMT 2025

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Comments:

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.