N-Debenzoyl-N-tigloylpaclitaxel (Cephalomannine)
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- structure.search.product.name N-Debenzoyl-N-tigloylpaclitaxel (Cephalomannine)
- Product Code: MM1489.02-0025
- CAS Number: 71610-00-9
- Brand: Mikromol
Product Overview
Product Code
MM1489.02-0025
CAS Number
EP Description
Paclitaxel Impurity B
USP Description
Paclitaxel Related Compound A
Product Format
Neat
Molecular Formula
C45 H53 N O14
Molecular Weight
831.90
API Family
PaclitaxelProduct Categories
Product Type
ImpurityDrug Type
Taxanes
Documentation
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Product Information
Analyte Data
Analyte Name
Cephalomannine
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
(aR,ßS)-a-Hydroxy-ß-[[(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
Product Data
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Type
Impurity
Product Format
Neat
Impurity Type
By-product
API Family