Tubeimoside I

Iupac Name

(2R,3S,4S,4aR,6S,7R,8R,9S,13S,17S,18S,19R,20S,21aR,22S,23S,25aS,27aS,31aS,34aR,35R,38R,38aR,40S,41R,42aR,43R,44S,48S)-3,4,7,8,13,19,22,23,40-nonahydroxy-2,43-bis(hydroxymethyl)-13,30,30,35,38a,43,44,48-octamethyl-18-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4,4a,6,7,8,9,13,14,17,18,19,20,21a,23,24,25a,29,30,31,31a,34,34a,35,36,37,38,38a,39,40,41,42a-dotriacontahydro-2H,11H,22H,27H,28H-32,35,27a-(epipropane[1,1,3]triyl)-6,9:20,17-bis(epoxymethano)-38,41-methanodibenzo[a1,f1]dipyrano[2,3-b:3',2'-u][1,4,9,15,20,23]hexaoxacyclotetratriacontine-11,15,27(12H)-trione

Inchi Code

1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28-,29-,30+,31-,32+,33-,34+,35+,38-,39-,40+,41-,42-,43+,44+,45+,46-,47-,48+,49+,50-,51-,52-,53-,54-,55-,58-,59-,60-,61+,62+,63-/m0/s1

InChI key

MCPFEAJYKIXPQF-DXZAWUHFSA-N