(3R,4R,5R,6S)-2-{[(2R,3R,4R,6R)-3-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosan]-18'-eneoxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol

CAS: 76296-72-5

Formula: C44H70O16

SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](OC3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C2O)O[C@]11CC[C@@H](C)CO1

IUPAC: (3R,4R,5R,6S)-2-{[(2R,3R,4R,6R)-3-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosan]-18'-eneoxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol

InChI: InChI=1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-36(52)38(59-39-35(51)33(49)31(47)21(3)54-39)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t1

Composition: C (61.81%), H (8.25%), O (29.94%)

Molar Mass: 855.028

Atom Count: 130

Heavy Atom Count: 60