(2r,3r,4s,5s,6r)-2-[(2s)-4-[(1s,2s,4s,8s,9s,12s,13r,16s)-16-[(2r,3r,4r,5r,6r)-3,4-dihydroxy-5-[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3r,5r)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula

C₅₆H₉₀O₂₇

SMILES

CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H](C([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)CC[C@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C56H90O27/c1-21(19-73-50-44(70)40(66)37(63)31(15-57)77-50)5-8-29-22(2)35-30(76-29)14-27-25-7-6-23-13-24(9-11-55(23,3)26(25)10-12-56(27,35)4)75-52-46(72)42(68)47(34(18-60)80-52)81-54-49(83-53-45(71)41(67)38(64)32(16-58)78-53)48(39(65)33(17-59)79-54)82-51-43(69)36(62)28(61)20-74-51/h6,21,24-28,30-54,57-72H,5,7-20H2,1-4H3/t21-,24-,25+,26-,27-,28+,30-,31+,32+,33+,34+,35-,36?,37+,38+,39+,40-,41-,42+,43+,44+,45+,46+,47-,48-,49+,50+,51-,52+,53-,54-,55-,56-/m0/s1

InChIKey

LALFYPVRKCOJNW-JAEVNVHESA-N

Compound name

(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1S,2S,4S,8S,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

• CID 129906798