(2r,3r,4r,5r,6s)-2-[(2s,3r,4s,5r,6s)-4,5-dihydroxy-6-[(2r,3s,4r,5r)-4-hydroxy-2-(hydroxymethyl)-6-[(5'r)-5'-tetramethylspiro[[?]-2,2'-tetrahydropyran]yl]-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol

Structural Information

Molecular Formula

C₅₁H₈₂O₁₉

SMILES

C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)C)OC1

InChI

InChI=1S/C51H82O19/c1-20-10-15-51(62-19-20)21(2)32-30(70-51)17-29-27-9-8-26-16-25(11-13-49(26,6)28(27)12-14-50(29,32)7)43-45(69-47-39(59)36(56)34(54)23(4)64-47)41(61)44(31(18-52)66-43)68-48-40(60)37(57)42(24(5)65-48)67-46-38(58)35(55)33(53)22(3)63-46/h8,20-25,27-48,52-61H,9-19H2,1-7H3/t20-,21+,22+,23+,24+,25+,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37+,38-,39-,40-,41+,42+,43?,44-,45-,46-,47+,48+,49+,50+,51?/m1/s1

InChIKey

JVRIQCKSWAWSAL-WMGVRZJISA-N

Compound name

(2R,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Related CIDs

• CID 3009289