Analyte Name

Iso Cephalomannine

CAS Number

173101-54-7

Molecular Formula

C45 H53 N O14

Molecular Weight

831.90

Accurate Mass

831.3466

SMILES

C\C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(=O)C)C4=C(C)[C@H](C[C@]1(O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c6ccccc6)OC(=O)C

InChI

InChI=1S/C45H53NO14/c1-9-23(2)40(53)59-38-36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32-24(3)29(21-45(38,55)42(32,6)7)58-41(54)34(50)33(27-16-12-10-13-17-27)46-39(52)28-18-14-11-15-19-28/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1

Storage Temperature

-20C Freezer

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family