(2r)-2-[(2s,3s,5s,6s)-2-hydroxy-6-[[(2r,3r,4r,6r,7r,9s)-2-[(2r,5s)-5-[(2r,5s)-5-[(2s,3s,5r,6s)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-[(2s,5s,6r)-5-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]propanoic acid

Structural Information

Molecular Formula

C₄₉H₈₄O₁₇

SMILES

C[C@@H]1[C@H](O[C@]([C@@H](C1OC)C)(C)O)[C@@H]2CC[C@@H](O2)[C@@H]3CC[C@@H](O3)[C@@]4([C@@H]([C@H](C5(O4)[C@@H]([C@@H](C[C@H](O5)C[C@H]6[C@](C([C@@H]([C@](O6)([C@@H](C)C(=O)O)O)C)OC)(C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)OC)C)C)OC)C

InChI

InChI=1S/C49H84O17/c1-24-40(56-13)26(3)47(10,52)65-41(24)35-17-16-33(60-35)34-18-20-37(61-34)46(9)43(58-15)28(5)49(66-46)25(2)36(55-12)22-31(62-49)23-38-45(8,64-39-21-19-32(54-11)30(7)59-39)42(57-14)27(4)48(53,63-38)29(6)44(50)51/h24-43,52-53H,16-23H2,1-15H3,(H,50,51)/t24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34-,35-,36+,37+,38-,39-,40?,41-,42?,43+,45-,46+,47-,48-,49?/m0/s1

InChIKey

IBYYDBPHSZNNHJ-YJKZOWJNSA-N

Compound name

(2R)-2-[(2S,3S,5S,6S)-2-hydroxy-6-[[(2R,3R,4R,6R,7R,9S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2S,3S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]propanoic acid

Related CIDs

• CID 456846