Protoyuccoside h

Structural Information

Molecular Formula

C₆₉H₁₁₆O₃₉

SMILES

C[C@H]1C2C(CC3[C@@]2(CCC4C3CC[C@H]5[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[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

InChI

InChI=1S/C69H116O39/c1-23(21-94-60-50(87)43(80)39(76)31(15-70)97-60)7-12-69(93)24(2)38-30(108-69)14-29-27-6-5-25-13-26(8-10-67(25,3)28(27)9-11-68(29,38)4)96-62-54(91)48(85)58(36(20-75)101-62)106-66-59(107-65-55(92)49(86)57(35(19-74)102-65)105-64-52(89)45(82)41(78)33(17-72)99-64)46(83)42(79)37(103-66)22-95-61-53(90)47(84)56(34(18-73)100-61)104-63-51(88)44(81)40(77)32(16-71)98-63/h23-66,70-93H,5-22H2,1-4H3/t23-,24+,25-,26+,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-,52-,53-,54-,55-,56+,57+,58-,59-,60-,61-,62-,63+,64+,65-,66+,67+,68+,69-/m1/s1

InChIKey

BKSZALUUQJKDOV-BRYDKAIJSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[(2R)-4-[(6R,7S,9S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

• CID 3086427