SUFFRUPAEONIDANIN E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H36O13
Molecular Weight	628.6204
Optical Activity	( - )
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]5(O[C@@H]3O[C@H](COC(=O)C4=CC=CC=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@]1(COC(=O)C6=CC=C(OC)C=C6)[C@@H](OC)O[C@@]5(C)CC2=O

InChI

InChIKey=NQLDRNBOOWFDAV-SMSYYATHSA-N

InChI=1S/C32H36O13/c1-30-14-21(33)20-13-32(30,31(20,29(40-3)45-30)16-42-27(38)18-9-11-19(39-2)12-10-18)44-28-25(36)24(35)23(34)22(43-28)15-41-26(37)17-7-5-4-6-8-17/h4-12,20,22-25,28-29,34-36H,13-16H2,1-3H3/t20-,22+,23+,24-,25+,28-,29-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H36O13
Molecular Weight	628.6204
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:18:03 UTC 2023` Edited by `admin` on `Sat Dec 16 08:18:03 UTC 2023`
Record UNII	63439HG7A3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SUFFRUPAEONIDANIN E

Common Name

English

(1R,3R,6S,8S,9S)-1-((6-O-BENZOYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-8-METHOXY-9-(((4-METHOXYBENZOYL)OXY)METHYL)-6-METHYL-7-OXATRICYCLO(4.3.0.03,9)NONAN-4-ONE

Systematic Name

English

7-OXATRICYCLO(4.3.0.0^3,9)NONAN-4-ONE, 1-((6-O-BENZOYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-8-METHOXY-9-(((4-METHOXYBENZOYL)OXY)METHYL)-6-METHYL-, (1R,3R,6S,8S,9S)-

Systematic Name

English

Code System Code Type Description

CAS

1528763-66-7

Created by admin on Sat Dec 16 08:18:03 UTC 2023 , Edited by admin on Sat Dec 16 08:18:03 UTC 2023

PRIMARY

PUBCHEM

162623977

Created by admin on Sat Dec 16 08:18:03 UTC 2023 , Edited by admin on Sat Dec 16 08:18:03 UTC 2023

PRIMARY

FDA UNII

63439HG7A3

Created by admin on Sat Dec 16 08:18:03 UTC 2023 , Edited by admin on Sat Dec 16 08:18:03 UTC 2023

PRIMARY

Related Record Type Details


					BUG255FE7X

PAEONIA X SUFFRUTICOSA ROOT BARK

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Compound was tested for anticomplement activity through the Classical Pathway (CP) and Alternative Pathway (AP).

Amount: