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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H38O17
Molecular Weight 778.7103
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5R,5AR,8AR,9S)-5-(4-(((BENZYLOXY)CARBONYL)OXY)-3,5-DIMETHOXYPHENYL)-9-((4,6-O-((1R)-ETHANE-1,1-DIYL)-2,3-DI-O-FORMYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,8,8A,9-TETRAHYDRO(2)BENZOFURO(5,6-F)(1,3)BENZODIOXOL-6(5AH)-ONE

SMILES

C[C@]1([H])OC[C@]2([H])[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])(O2)O[C@]3([H])c4cc5c(cc4[C@@]([H])(c6cc(c(c(c6)OC)OC(=O)OCc7ccccc7)OC)[C@]8([H])[C@]3([H])COC8=O)OCO5)OC=O)OC=O)O1

InChI

InChIKey=BCFRKVQXBBVNAU-XPIVGXSXSA-N
InChI=1S/C39H38O17/c1-19-46-15-29-34(53-19)35(49-16-40)36(50-17-41)38(54-29)55-32-23-12-26-25(51-18-52-26)11-22(23)30(31-24(32)14-47-37(31)42)21-9-27(44-2)33(28(10-21)45-3)56-39(43)48-13-20-7-5-4-6-8-20/h4-12,16-17,19,24,29-32,34-36,38H,13-15,18H2,1-3H3/t19-,24+,29-,30-,31+,32-,34-,35+,36-,38+/m1/s1

HIDE SMILES / InChI

Molecular Formula C39H38O17
Molecular Weight 778.7103
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 Jun 26 15:53:23 UTC 2021
Edited
by admin
on Sat Jun 26 15:53:23 UTC 2021
Record UNII
Z9HRT622K3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5R,5AR,8AR,9S)-5-(4-(((BENZYLOXY)CARBONYL)OXY)-3,5-DIMETHOXYPHENYL)-9-((4,6-O-((1R)-ETHANE-1,1-DIYL)-2,3-DI-O-FORMYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,8,8A,9-TETRAHYDRO(2)BENZOFURO(5,6-F)(1,3)BENZODIOXOL-6(5AH)-ONE
Systematic Name English
ETOPOSIDE IMPURITY G [EP]
Common Name English
Code System Code Type Description
PUBCHEM
11765751
Created by admin on Sat Jun 26 15:53:23 UTC 2021 , Edited by admin on Sat Jun 26 15:53:23 UTC 2021
PRIMARY
FDA UNII
Z9HRT622K3
Created by admin on Sat Jun 26 15:53:23 UTC 2021 , Edited by admin on Sat Jun 26 15:53:23 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY