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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H36O13
Molecular Weight 628.6204
Optical Activity ( - )
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-O-METHYLSUFFRUPAEONIFLORIN B

SMILES

[H][C@@]12C[C@@]5(O[C@]3([H])O[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@]7([H])O[C@@]5(C)C[C@@]2(OC)O7

InChI

InChIKey=OBVXFHMQVPTXFO-JMHMSEATSA-N
InChI=1S/C32H36O13/c1-29-15-31(39-3)21-13-32(29,30(21,28(44-29)45-31)16-41-26(37)18-9-11-19(38-2)12-10-18)43-27-24(35)23(34)22(33)20(42-27)14-40-25(36)17-7-5-4-6-8-17/h4-12,20-24,27-28,33-35H,13-16H2,1-3H3/t20-,21-,22-,23+,24-,27+,28-,29+,30+,31-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H36O13
Molecular Weight 628.6204
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:30:23 UTC 2023
Edited
by admin
on Sat Dec 16 18:30:23 UTC 2023
Record UNII
53P2ZB8P28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-O-METHYLSUFFRUPAEONIFLORIN B
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (1AR,2S,3AR,5R,5AR,5BS)-5B-(((4-METHOXYBENZOYL)OXY)METHYL)TETRAHYDRO-5-METHOXY-2-METHYL-2,5-METHANO-1H-3,4-DIOXACYCLOBUTA(CD)PENTALEN-1A(2H)-YL, 6-BENZOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
162624012
Created by admin on Sat Dec 16 18:30:23 UTC 2023 , Edited by admin on Sat Dec 16 18:30:23 UTC 2023
PRIMARY
FDA UNII
53P2ZB8P28
Created by admin on Sat Dec 16 18:30:23 UTC 2023 , Edited by admin on Sat Dec 16 18:30:23 UTC 2023
PRIMARY
CAS
1515943-40-4
Created by admin on Sat Dec 16 18:30:23 UTC 2023 , Edited by admin on Sat Dec 16 18:30:23 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Compound was tested for anticomplement activity through the Classical Pathway (CP) and Alternative Pathway (AP).