ammonium 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-{[(4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-2-methyl-[2,2'-bioxolan]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetate

CAS: 84878-61-5

Formula: C47H83NO17

SMILES: [NH4+].CO[C@H]1CC(O[C@H]2C[C@@H](O[C@H]2[C@]2(C)CC[C@@H](O2)[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)[C@@H]3O[C@](O)(CC([O-])=O)[C@@H](C)[C@H](OC)[C@H]3OC)O2)[C@H]2O[C@](C)(O)[C@H](C)C[C@@H]2C)O[C@@H](C)[C@@H]1OC

IUPAC: ammonium 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-{[(4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-2-methyl-[2,2'-bioxolan]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetate

InChI: InChI=1S/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-

Composition: C (60.43%), H (8.96%), N (1.50%), O (29.11%)

Molar Mass: 934.171

Atom Count: 148

Heavy Atom Count: 65