[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1s,2r,4r,6ar,6as,6br,8ar,9r,10r,11r,12ar,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylate

Structural Information

Molecular Formula

C₄₈H₇₈O₁₉

SMILES

C[C@@H]1C[C@H](C2CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[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)C)O)O)O)O)O)O)O)O

InChI

InChI=1S/C48H78O19/c1-19-14-23(22-10-12-47(6)24(30(22)20(19)2)8-9-29-45(4)15-25(51)40(60)46(5,18-50)28(45)11-13-48(29,47)7)41(61)67-44-37(58)34(55)32(53)27(65-44)17-62-42-38(59)35(56)39(26(16-49)64-42)66-43-36(57)33(54)31(52)21(3)63-43/h8,19-23,25-40,42-44,49-60H,9-18H2,1-7H3/t19-,20+,21-,22?,23-,25-,26-,27-,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40+,42-,43+,44+,45+,46+,47-,48-/m1/s1

InChIKey

CFAPMVLVMVAYGU-CQBDMJJBSA-N

Compound name

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

Related CIDs

• CID 86575615