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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H48N2O12.2ClHO4
Molecular Weight 901.69
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RHODOMYCIN A DIPERCHLORATE

SMILES

OCl(=O)(=O)=O.OCl(=O)(=O)=O.CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)C3=C([C@H]1O[C@H]4C[C@@H]([C@H](O)[C@H](C)O4)N(C)C)C(O)=C5C(=O)C6=C(C(=O)C5=C3O)C(O)=CC=C6

InChI

InChIKey=LXDHYMKAMZNQFI-MQTDCIGOSA-N
InChI=1S/C36H48N2O12.2ClHO4/c1-8-36(46)14-21(49-22-12-18(37(4)5)29(40)15(2)47-22)25-28(35(36)50-23-13-19(38(6)7)30(41)16(3)48-23)34(45)26-27(33(25)44)32(43)24-17(31(26)42)10-9-11-20(24)39;2*2-1(3,4)5/h9-11,15-16,18-19,21-23,29-30,35,39-41,44-46H,8,12-14H2,1-7H3;2*(H,2,3,4,5)/t15-,16-,18-,19-,21-,22-,23-,29+,30+,35+,36+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C36H48N2O12
Molecular Weight 700.7725
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClHO4
Molecular Weight 100.459
Charge 0
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 Mon Mar 31 22:28:12 GMT 2025
Edited
by admin
on Mon Mar 31 22:28:12 GMT 2025
Record UNII
3985XN61IY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RHODOMYCIN A DIPERCHLORATE
Common Name English
RHODOMYCIN A PERCHLORATE
MI  
Preferred Name English
RHODOMYCIN A PERCHLORATE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
76957288
Created by admin on Mon Mar 31 22:28:12 GMT 2025 , Edited by admin on Mon Mar 31 22:28:12 GMT 2025
PRIMARY
FDA UNII
3985XN61IY
Created by admin on Mon Mar 31 22:28:12 GMT 2025 , Edited by admin on Mon Mar 31 22:28:12 GMT 2025
PRIMARY