Gambierone

Analyte Name

Gambierone

Molecular Formula

C51 H76 O19 S

Molecular Weight

1025.2

Concentration

19.9 µg/mL

Accurate Mass

1024.4702

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)[C@H](C[C@H]8O[C@@H]17)O[C@@](C)(CCC9=C)[C@@H](O)CC(=O)CC\C=C\C=C

InChI

InChI=1S/C51H76O19S/c1-7-8-9-10-11-29(53)20-41(55)48(4)19-18-28(3)50(6)43(69-48)23-36-37(67-50)22-38-44(65-36)27(2)12-13-34-31(61-38)16-17-42-49(5,66-34)25-40-33(63-42)15-14-32-35(62-40)21-39-45(64-32)46(70-71(58,59)60)47(56)51(57,68-39)24-30(54)26-52/h7-9,14-15,27,30-47,52,54-57H,1,3,10-13,16-26H2,2,4-6H3,(H,58,59,60)/b9-8+/t27-,30+,31-,32+,33-,34+,35-,36+,37-,38+,39+,40+,41-,42+,43-,44-,45+,46-,47-,48-,49-,50+,51+/m0/s1

Storage Temperature

-80°C

Shipping Temperature

Dry ice

Country of Origin

SPAIN

Product Format

Single Solution

Matrix

Methanol