44-Methyl-Gambierone

Analyte Name

44-methyl-Gambierone

CAS Number

2375199-13-4

Molecular Formula

C52 H78 O19 S

Molecular Weight

1039.23

Concentration

19.9 µg/mL

Accurate Mass

1038.4858

SMILES

C[C@H]1CC[C@H]2O[C@@]3(C)C[C@H]4O[C@H]5C[C@H]6O[C@](O)(C[C@@H](O)CO)[C@@H](O)[C@@H](OS(=O)(=O)O)[C@@H]6O[C@@H]5C=C[C@@H]4O[C@@H]3CC[C@@H]2O[C@@H]7C[C@@H]8O[C@]9(C)CC(=C)C[C@](C)(O[C@H]9C[C@H]8O[C@@H]17)[C@@H](O)CC(=O)CC\C=C(/C)\C=C

InChI

InChI=1S/C52H78O19S/c1-8-27(2)10-9-11-30(54)18-42(56)49(5)22-28(3)23-50(6)44(70-49)21-37-38(68-50)20-39-45(66-37)29(4)12-13-35-32(62-39)16-17-43-51(7,67-35)25-41-34(64-43)15-14-33-36(63-41)19-40-46(65-33)47(71-72(59,60)61)48(57)52(58,69-40)24-31(55)26-53/h8,10,14-15,29,31-48,53,55-58H,1,3,9,11-13,16-26H2,2,4-7H3,(H,59,60,61)/b27-10+/t29-,31+,32-,33+,34-,35+,36-,37+,38-,39+,40+,41+,42-,43+,44-,45-,46+,47-,48-,49-,50+,51-,52+/m0/s1

Storage Temperature

-80°C

Shipping Temperature

Dry ice

Country of Origin

SPAIN

Product Format

Single Solution

Matrix

Methanol