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Details

Stereochemistry ABSOLUTE
Molecular Formula C50H50O20
Molecular Weight 970.9219
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETOPOSIDE DESACCHARODIMER

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)O[C@]7([H])c8cc9c(cc8[C@@]([H])(c%10cc(c(c(c%10)OC)O)OC)[C@]%11([H])[C@]7([H])COC%11=O)OCO9)OC)[C@]%12([H])[C@]3([H])COC%12=O)OCO5)O)O)O1

InChI

InChIKey=RIBVHPKYTHBUDJ-NPNOPHOWSA-N
InChI=1S/C50H50O20/c1-19-60-16-36-47(67-19)42(52)43(53)50(68-36)70-45-25-13-31-29(64-18-66-31)11-23(25)38(40-27(45)15-62-49(40)55)21-8-34(58-4)46(35(9-21)59-5)69-44-24-12-30-28(63-17-65-30)10-22(24)37(39-26(44)14-61-48(39)54)20-6-32(56-2)41(51)33(7-20)57-3/h6-13,19,26-27,36-40,42-45,47,50-53H,14-18H2,1-5H3/t19-,26+,27+,36-,37-,38-,39+,40+,42-,43-,44-,45-,47-,50+/m1/s1

HIDE SMILES / InChI

Molecular Formula C50H50O20
Molecular Weight 970.9219
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 04:11:22 UTC 2021
Edited
by admin
on Sat Jun 26 04:11:22 UTC 2021
Record UNII
SD2141W3YA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETOPOSIDE DESACCHARODIMER
Common Name English
FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 9-((4,6-O-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-(4-((5,5A,6,8,8A,9-HEXAHYDRO-9-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-8-OXOFURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-5-YL)OXY)-3,5-DIMETHOXYPHENYL)-5,8,8A,8-
Systematic Name English
ETOPOSIDE IMPURITY N [EP]
Common Name English
(5R,5AR,8AR,9S)-9-((4,6-O-((1R)-ETHANE-1,1-DIYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-(4-(((5R,5AR,8AR,9S)-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-6-OXO-5,5A,6,8,8A,9-HEXAHYDRO(2)BENZOFURO(5,6-F)(1,3)BENZODIOXOL-9-YL)OXY)-3,5-DIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDRO(2)B
Systematic Name English
Code System Code Type Description
FDA UNII
SD2141W3YA
Created by admin on Sat Jun 26 04:11:22 UTC 2021 , Edited by admin on Sat Jun 26 04:11:22 UTC 2021
PRIMARY
PUBCHEM
134812038
Created by admin on Sat Jun 26 04:11:22 UTC 2021 , Edited by admin on Sat Jun 26 04:11:22 UTC 2021
PRIMARY
CAS
149839-65-6
Created by admin on Sat Jun 26 04:11:22 UTC 2021 , Edited by admin on Sat Jun 26 04:11:22 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP