Yuccoside h

Structural Information

Molecular Formula

C₆₃H₁₀₄O₃₃

SMILES

C[C@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(CCC5C4CC[C@H]6[C@@]5(CCC(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[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)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(O2)CO)O)O)O)O)O)O)O)C)C)C)OC1

InChI

InChI=1S/C63H104O33/c1-22-7-12-63(84-20-22)23(2)36-29(96-63)14-28-26-6-5-24-13-25(8-10-61(24,3)27(26)9-11-62(28,36)4)85-56-49(81)44(76)53(34(19-68)89-56)94-60-54(95-59-50(82)45(77)52(33(18-67)90-59)93-58-47(79)41(73)38(70)31(16-65)87-58)42(74)39(71)35(91-60)21-83-55-48(80)43(75)51(32(17-66)88-55)92-57-46(78)40(72)37(69)30(15-64)86-57/h22-60,64-82H,5-21H2,1-4H3/t22-,23-,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+/m0/s1

InChIKey

VSYMAEVZKCKIES-PFXOOTJMSA-N

Compound name

(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(5'S,6R,7S,9S,13S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

• CID 3086430