U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C51H86N2O16
Molecular Weight 983.2323
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVALERYLSPIRAMYCIN III

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

InChI

InChIKey=GIDHDUYAXIVIMN-JJORJHTQSA-N
InChI=1S/C51H86N2O16/c1-15-39(55)65-38-27-41(57)61-31(5)19-17-16-18-20-37(66-42-22-21-36(52(10)11)32(6)62-42)30(4)26-35(23-24-54)47(48(38)60-14)69-50-45(58)44(53(12)13)46(33(7)64-50)68-43-28-51(9,59)49(34(8)63-43)67-40(56)25-29(2)3/h16-18,20,24,29-38,42-50,58-59H,15,19,21-23,25-28H2,1-14H3/b17-16+,20-18+/t30-,31-,32-,33-,34+,35+,36+,37+,38-,42+,43+,44-,45-,46-,47+,48+,49+,50+,51-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOVALERYLSPIRAMYCIN III
Common Name English
LEUCOMYCIN V, 9-O-((2R,5S,6R)-5-(DIMETHYLAMINO)TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)-, 4B-(3-METHYLBUTANOATE) 3-PROPANOATE
Systematic Name English
SHENGJIMYCIN A
Common Name English
Code System Code Type Description
PUBCHEM
101485378
Created by admin on Sat Dec 16 15:42:03 GMT 2023 , Edited by admin on Sat Dec 16 15:42:03 GMT 2023
PRIMARY
CAS
212125-76-3
Created by admin on Sat Dec 16 15:42:03 GMT 2023 , Edited by admin on Sat Dec 16 15:42:03 GMT 2023
PRIMARY
FDA UNII
O6EN3F24FY
Created by admin on Sat Dec 16 15:42:03 GMT 2023 , Edited by admin on Sat Dec 16 15:42:03 GMT 2023
PRIMARY