Synonyms |
Nanchangmycin;Nanchangmycin A;65101-87-3;Sodium;(E,2S,4R,8S)-8-[(2S,5R,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoate;CCRIS 8440;Nanchangmycin; Nanchangmycin A;CHEMBL4528703;EX-A2321;AKOS032949723;CS-5855;DA-56003;HY-100528; |
IUPAC Name |
sodium;(E,2S,4R,8S)-8-[(2S,5R,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoate |
Molecular Weight |
331.4 |
Molecular Formula |
C17H21N3O2S |
Canonical SMILES |
C[C@@H](C1=CC=C(C=C1)NC(=O)C)C(=O)NC2=NC=C(S2)C(C)C |
InChI |
InChI=1S/C47H78O14.Na/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42;/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52);/q;+1/p-1/b24-17+;/t25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+;/m1./s1 |
InChIKey |
XMAIRYYXDCNFKP-SEDNIUBGSA-M |
Melting Point |
210-212°C |
Purity |
>98% |
Solubility |
Soluble in DMF (30 mg/mL), DMSO (25 mg/mL), Ethanol, Methanol |
Appearance |
Solid |
Storage |
4°C, sealed storage, away from moisture *In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture) |