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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H78N2O15.C6H10O4
Molecular Weight 1045.2571
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPIRAMYCIN III ADIPATE

SMILES

OC(=O)CCCCC(O)=O.[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](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)[C@@H](CC=O)C[C@H]2C

InChI

InChIKey=GAMOFVGOAOXHJV-QIDKPHOGSA-N
InChI=1S/C46H78N2O15.C6H10O4/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38;7-5(8)3-1-2-4-6(9)10/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3;1-4H2,(H,7,8)(H,9,10)/b15-14+,18-16+;/t26-,27-,28+,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C46H78N2O15
Molecular Weight 899.1159
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H10O4
Molecular Weight 146.1412
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 Fri Dec 15 21:20:42 GMT 2023
Edited
by admin
on Fri Dec 15 21:20:42 GMT 2023
Record UNII
UL161N7V4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPIRAMYCIN III ADIPATE
Common Name English
FOROMACIDIN C ADIPATE
Common Name English
Code System Code Type Description
FDA UNII
UL161N7V4G
Created by admin on Fri Dec 15 21:20:42 GMT 2023 , Edited by admin on Fri Dec 15 21:20:42 GMT 2023
PRIMARY
SMS_ID
100000183691
Created by admin on Fri Dec 15 21:20:42 GMT 2023 , Edited by admin on Fri Dec 15 21:20:42 GMT 2023
PRIMARY
PUBCHEM
76971840
Created by admin on Fri Dec 15 21:20:42 GMT 2023 , Edited by admin on Fri Dec 15 21:20:42 GMT 2023
PRIMARY
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