Analyte Name

(3beta)-Solanid-5-en-3-yl beta-D-galactopyranoside

CAS Number

511-37-5

Molecular Formula

C33H53NO6

Molecular Weight

559.79

Accurate Mass

559.39

SMILES

C[C@@]12[C@]3([H])[C@](N4[C@@](CC[C@@H](C4)C)([H])[C@H]3C)([H])C[C@@]1([H])[C@@]5([H])[C@]([C@@]6(C(C[C@H](CC6)O[C@@H]7O[C@@H]([C@@H]([C@@H]([C@H]7O)O)O)CO)=CC5)C)([H])CC2

InChI

InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,33-/m0/s1

IUPAC

(2R,3R,4S,5R,6R)-2-(Hydroxymethyl)-6-(((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-3,4,5-triol

Country of Origin

CANADA

Product Format

Neat