Nombre del analito

beta-Chaconine

Número CAS

472-51-5

Fórmula molecular

C39H63NO10

Peso molecular

705.93

Masa exacta

705.45

SMILES

C[C@@]12[C@](C[C@@]3([H])[C@]2([H])[C@@H]([C@]4([H])N3C[C@H](CC4)C)C)([H])[C@@]5([H])[C@]([C@@]6(C(C[C@H](CC6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)=CC5)C)([H])CC1

InChI

InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1

IUPAC

(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(((4S,6aR,6bS,8aS,8bR,9S,9aR,12S,14aS,15aS,15bS)-6a,8a,9,12-tetramethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,9a,10,11,12,13,14a,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]indolizin-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol

País de origen

CANADA

Formato del producto

Neat