(2S,4R,6E,8S)-8-[(2S,5R,7R,8R,9S)-9-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-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid

CAS: 35865-33-9

Formula: C47H78O14

SMILES: [H][C@@]1(C[C@H](O[C@@H]2CC[C@H](OC)[C@@H](C)O2)[C@@H](C)[C@@]2(O[C@H](C[C@@H]2C)[C@@]2([H])O[C@@](O)(CO)[C@H](C)C[C@@H]2C)O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)C=C(/C)C(=O)[C@H](C)C[C@H](C)C(O)=O)O1

IUPAC: (2S,4R,6E,8S)-8-[(2S,5R,7R,8R,9S)-9-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-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid

InChI: InChI=1S/C47H78O14/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,13-16,18-23H2,1-1

Composition: C (65.10%), H (9.07%), O (25.83%)

Molar Mass: 867.127

Atom Count: 139

Heavy Atom Count: 61