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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H43N2O9.Na
Molecular Weight 622.6816
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of STREPTOLYDIGIN SODIUM

SMILES

[Na+].CNC(=O)[C@@H](C)[C@@H]1N([C@@H]2CC[C@H](O)[C@H](C)O2)C(=O)[C-](C(=O)\C=C\C(C)=C\[C@@H](C)[C@H]3O[C@@]4(C)O[C@H](C=C[C@@]45CO5)[C@@H]3C)C1=O

InChI

InChIKey=JHBYMGNDBRCCLW-WPGMLMHPSA-N
InChI=1S/C32H43N2O9.Na/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24;/h8-9,12-14,17-21,23-24,26,28,35H,10-11,15H2,1-7H3,(H,33,38);/q-1;+1/b9-8+,16-14+;/t17-,18+,19+,20+,21+,23?,24+,26+,28-,31-,32-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C32H43N2O9
Molecular Weight 599.6918
Charge -1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 11 / 12
E/Z Centers 2
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:05:44 GMT 2023
Edited
by admin
on Sat Dec 16 10:05:44 GMT 2023
Record UNII
263KFW380H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STREPTOLYDIGIN SODIUM
Common Name English
STREPTOLYDIGIN SODIUM SALT [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m936
Created by admin on Sat Dec 16 10:05:44 GMT 2023 , Edited by admin on Sat Dec 16 10:05:44 GMT 2023
PRIMARY Merck Index
FDA UNII
263KFW380H
Created by admin on Sat Dec 16 10:05:44 GMT 2023 , Edited by admin on Sat Dec 16 10:05:44 GMT 2023
PRIMARY
CAS
80081-26-1
Created by admin on Sat Dec 16 10:05:44 GMT 2023 , Edited by admin on Sat Dec 16 10:05:44 GMT 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
90479123
Created by admin on Sat Dec 16 10:05:44 GMT 2023 , Edited by admin on Sat Dec 16 10:05:44 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY