Convallamarin

Structural Information

Molecular Formula

C₅₇H₉₄O₂₇

SMILES

C[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@@H]2O)O)O[C@@H]3C[C@@H](CC4[C@]3(C5CCC6C(C5CC4)CC7[C@]6([C@@H]([C@](O7)(CCC(=C)COC8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)C)C)C)OC9[C@@H]([C@@H](C([C@H](O9)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C)O)O)O

InChI

InChI=1S/C57H94O27/c1-20(19-74-50-43(68)39(64)36(61)31(17-58)79-50)12-13-57(73)24(5)55(6)30-11-10-29-27(28(30)16-34(55)84-57)9-8-25-14-26(78-51-46(71)41(66)49(22(3)76-51)83-54-45(70)40(65)37(62)32(18-59)80-54)15-33(56(25,29)7)81-52-47(72)42(67)48(23(4)77-52)82-53-44(69)38(63)35(60)21(2)75-53/h21-54,58-73H,1,8-19H2,2-7H3/t21-,22-,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-/m1/s1

InChIKey

OYWZJMOUZKQCFZ-DGYUCRCOSA-N

Compound name

(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5R)-6-[[(6R,7S,8R,13S,14R,16R)-16-[(3R,4S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,8,13-trimethyl-6-[3-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-14-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Related CIDs

• CID 71300961