(1r,2s,4s,5'r,6r,7s,8r,9s,12s,13s,16s,18s)-16-[(2r,3r,4r,5r,6r)-5-[(2s,3r,4s,5s,6r)-3-[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

Structural Information

Molecular Formula

C₅₁H₈₂O₂₃

SMILES

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)O)O)C)C)C)OC1

InChI

InChI=1S/C51H82O23/c1-19-8-11-51(65-18-19)20(2)32-27(74-51)13-26-24-7-6-22-12-23(9-10-49(22,4)25(24)14-31(55)50(26,32)5)67-46-40(63)38(61)42(30(17-54)70-46)71-48-44(37(60)34(57)28(15-52)69-48)73-47-41(64)43(35(58)29(16-53)68-47)72-45-39(62)36(59)33(56)21(3)66-45/h19-30,32-48,52-54,56-64H,6-18H2,1-5H3/t19-,20+,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,48+,49+,50-,51-/m1/s1

InChIKey

YKABWKAMEISWAE-ZIKHVRGWSA-N

Compound name

(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

Related CIDs

• CID 11018597