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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H67NO13
Molecular Weight 735.9135
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERYTHROMYCIN C-13

SMILES

CC[C@]1([H])[C@](C)([C@@]([H])([C@@]([H])(C)C(=O)[C@]([H])(C)C[C@](C)([C@@]([H])([C@@]([H])(C)[C@@]([H])([C@@]([H])(C)C(=O)O1)O[C@@]2([H])C[C@](C)([C@]([H])([C@]([H])(C)O2)O)OC)O[C@@]3([H])[C@@]([H])([C@]([H])(C[C@@]([H])(C)O3)N(C)C)O)O)O)O

InChI

InChIKey=ULGZDMOVFRHVEP-AXHSKANISA-N
InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1/i11+1,12+1

HIDE SMILES / InChI

Molecular Formula C37H67NO13
Molecular Weight 735.9135
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 02:22:49 UTC 2021
Edited
by admin
on Sat Jun 26 02:22:49 UTC 2021
Record UNII
8HPH7ND0LN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERYTHROMYCIN C-13
Common Name English
ERYTHROMYCIN, LABELED WITH CARBON-13
Common Name English
Code System Code Type Description
FDA UNII
8HPH7ND0LN
Created by admin on Sat Jun 26 02:22:49 UTC 2021 , Edited by admin on Sat Jun 26 02:22:49 UTC 2021
PRIMARY
PUBCHEM
71308846
Created by admin on Sat Jun 26 02:22:49 UTC 2021 , Edited by admin on Sat Jun 26 02:22:49 UTC 2021
PRIMARY
CAS
215031-94-0
Created by admin on Sat Jun 26 02:22:49 UTC 2021 , Edited by admin on Sat Jun 26 02:22:49 UTC 2021
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED