Refchem:923031

Structural Information

Molecular Formula

C₆₇H₁₀₆O₃₁

SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H]([C@@H](CO[C@H]3OC4CC[C@]5(C(C4(C)C)CCC6C5=CC[C@@]78[C@]6(CC(=O)[C@@H]7[C@](OC8=O)(C)CCCC(=C)C)C)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O)O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O

InChI

InChI=1S/C67H106O31/c1-26(2)13-12-18-66(9)55-31(71)21-65(8)30-14-15-36-63(5,6)37(17-19-64(36,7)29(30)16-20-67(55,65)62(83)98-66)93-61-54(42(76)35(25-86-61)92-58-48(82)53(41(75)34(24-70)89-58)96-60-46(80)51(85-11)40(74)33(23-69)91-60)97-56-44(78)43(77)49(28(4)88-56)94-57-47(81)52(38(72)27(3)87-57)95-59-45(79)50(84-10)39(73)32(22-68)90-59/h16,27-28,30,32-61,68-70,72-82H,1,12-15,17-25H2,2-11H3/t27-,28-,30?,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+,64-,65+,66+,67-/m1/s1

InChIKey

KUZIZPOBXCAYAB-JKPBLWMFSA-N

Compound name

(2S,5S,6S,9S,13S)-16-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-ene-4,8-dione

Related CIDs

• CID 163110604