62601-71-2

Structural Information

Molecular Formula

C₆₃H₁₀₄O₃₄

SMILES

C[C@H]1C2C(CC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)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[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)CO)O)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/C63H104O34/c1-22(21-85-55-45(78)42(75)37(70)30(15-64)87-55)7-12-63(84)23(2)36-29(97-63)14-28-26-6-5-24-13-25(8-10-61(24,3)27(26)9-11-62(28,36)4)86-58-48(81)52(39(72)32(17-66)89-58)95-57-47(80)44(77)51(35(20-69)92-57)93-59-49(82)54(41(74)33(18-67)90-59)96-60-50(83)53(40(73)34(19-68)91-60)94-56-46(79)43(76)38(71)31(16-65)88-56/h5,22-23,25-60,64-84H,6-21H2,1-4H3/t22-,23-,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

SDFCGXHKRHPQDW-DDKZEQLZSA-N

Compound name

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

Related CIDs

• CID 3085249