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Cephalomannine

Product Code

TRC-C258500-10MG

CAS Number

71610-00-9

Product Format

Neat

Matrix

-

Molecular Formula

C45 H53 N O14

Molecular Weight

831.90

Product Categories

TRC, Impurity standards

Product Type

Impurity

Pack Size:

10 mg

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Product Information

CAS Number

71610-00-9

Molecular Formula

C45 H53 N O14

Molecular Weight

831.90

Accurate Mass

831.3466

Smiles

C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6

InChI

InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)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(29)3)42(45,6)7/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

IUPAC

(αR,βS)-α-Hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]benzenepropanoic acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester

Storage Temperature

-20C Freezer

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Matrix

-

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