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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O13
Molecular Weight 562.5193
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-DEMETHYLPICROPODOPHYLLIN, .BETA.-D-GLUCOPYRANOSIDE

SMILES

[H][C@]12COC(=O)[C@@]1([H])[C@H](C3=CC(OC)=C(O)C(OC)=C3)C4=C(C=C5OCOC5=C4)[C@@H]2O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

InChI

InChIKey=FOVRGQUEGRCWPD-BWWOSRAGSA-N
InChI=1S/C27H30O13/c1-34-16-3-10(4-17(35-2)21(16)29)19-11-5-14-15(38-9-37-14)6-12(11)25(13-8-36-26(33)20(13)19)40-27-24(32)23(31)22(30)18(7-28)39-27/h3-6,13,18-20,22-25,27-32H,7-9H2,1-2H3/t13-,18+,19+,20+,22+,23-,24+,25-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30O13
Molecular Weight 562.5193
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:02:05 GMT 2023
Edited
by admin
on Sat Dec 16 08:02:05 GMT 2023
Record UNII
6I1J8IM5I7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-DEMETHYLPICROPODOPHYLLIN, .BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 9-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AS,8AR,9R)-
Systematic Name English
NSC-403178
Code English
PICROPODOPHYLLIN, 4'-DEMETHYL-, .BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
PICROPODOPHYLLOTOXIN, 4'-DEMETHYL-, .BETA.-D-GLUCOSIDE
Systematic Name English
Code System Code Type Description
NSC
403178
Created by admin on Sat Dec 16 08:02:05 GMT 2023 , Edited by admin on Sat Dec 16 08:02:05 GMT 2023
PRIMARY
PUBCHEM
10844308
Created by admin on Sat Dec 16 08:02:05 GMT 2023 , Edited by admin on Sat Dec 16 08:02:05 GMT 2023
PRIMARY
CAS
7598-48-3
Created by admin on Sat Dec 16 08:02:05 GMT 2023 , Edited by admin on Sat Dec 16 08:02:05 GMT 2023
PRIMARY
FDA UNII
6I1J8IM5I7
Created by admin on Sat Dec 16 08:02:05 GMT 2023 , Edited by admin on Sat Dec 16 08:02:05 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY