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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H80N2O16
Molecular Weight 941.1526
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPIRAMYCIN III ACETATE

SMILES

[H][C@@]1(CC[C@@H]([C@@H](C)O1)N(C)C)O[C@H]2\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@H](OC)[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O[C@@]4([H])C[C@@](C)(O)[C@@H](OC(C)=O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)[C@@H](CC=O)C[C@H]2C

InChI

InChIKey=VCZCNQGYDMIUGX-FLROPGNWSA-N
InChI=1S/C48H80N2O16/c1-14-37(53)63-36-25-38(54)58-28(3)18-16-15-17-19-35(64-39-21-20-34(49(9)10)29(4)59-39)27(2)24-33(22-23-51)44(45(36)57-13)66-47-42(55)41(50(11)12)43(30(5)61-47)65-40-26-48(8,56)46(31(6)60-40)62-32(7)52/h15-17,19,23,27-31,33-36,39-47,55-56H,14,18,20-22,24-26H2,1-13H3/b16-15+,19-17+/t27-,28-,29-,30-,31+,33+,34+,35+,36-,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-/m1/s1

HIDE SMILES / InChI

Molecular Formula C48H80N2O16
Molecular Weight 941.1526
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:52:52 GMT 2023
Edited
by admin
on Sat Dec 16 05:52:52 GMT 2023
Record UNII
3OL4892KSB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPIRAMYCIN III ACETATE
Common Name English
LEUCOMYCIN V, 9-O-((2R,5S,6R)-5-(DIMETHYLAMINO)TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)-, 4B-ACETATE 3-PROPANOATE
Common Name English
LEUCOMYCIN V, 9-O-(5-(DIMETHYLAMINO)TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)-, 4B-ACETATE 3-PROPANOATE, (9(2R,5S,6R))-
Common Name English
4''-O-ACETYLSPIRAMYCIN C
Common Name English
4''-ACETYLSPIRAMYCIN III
Common Name English
SHENGJIMYCIN C1
Common Name English
Code System Code Type Description
FDA UNII
3OL4892KSB
Created by admin on Sat Dec 16 05:52:52 GMT 2023 , Edited by admin on Sat Dec 16 05:52:52 GMT 2023
PRIMARY
CAS
112501-15-2
Created by admin on Sat Dec 16 05:52:52 GMT 2023 , Edited by admin on Sat Dec 16 05:52:52 GMT 2023
PRIMARY
SMS_ID
100000183690
Created by admin on Sat Dec 16 05:52:52 GMT 2023 , Edited by admin on Sat Dec 16 05:52:52 GMT 2023
PRIMARY
PUBCHEM
76969737
Created by admin on Sat Dec 16 05:52:52 GMT 2023 , Edited by admin on Sat Dec 16 05:52:52 GMT 2023
PRIMARY