Iso Cephalomannine
Product Code
TRC-I789500-10MG
CAS Number
Product Format
Neat
Molecular Formula
C45 H53 N O14
Molecular Weight
831.90
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Product Type
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Documentation
Safety Data Sheet
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Product Information
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