2.-alpha.,3-.beta.-,19.-beta,23-tetrahydroxyolean-12en-28oic acid 3-o-.beta.-d-galactopyranosyl-(1-3)-.beta.-d-glucopydranoside-28-o-.beta.-d-glucopyranoside

Structural Information

Molecular Formula

C₄₈H₇₈O₂₁

SMILES

C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C

InChI

InChI=1S/C48H78O21/c1-43(2)11-13-48(42(63)69-40-34(60)32(58)29(55)23(17-50)65-40)14-12-46(5)20(27(48)37(43)62)7-8-26-44(3)15-21(53)38(45(4,19-52)25(44)9-10-47(26,46)6)68-41-35(61)36(30(56)24(18-51)66-41)67-39-33(59)31(57)28(54)22(16-49)64-39/h7,21-41,49-62H,8-19H2,1-6H3/t21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41+,44+,45+,46-,47-,48+/m1/s1

InChIKey

NSZSDRNMXRQQMG-LPDIUYJMSA-N

Compound name

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10-[(2R,3R,4S,5S,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-1,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Related CIDs

• CID 5272613