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Paclitaxel EP Impurity I structure, CAS 2157462-42-3

Paclitaxel EP Impurity I

CAS Number2157462-42-3

Synonyms

Molecular FormulaC61H62N2O16

Molecular Weight967.16

Purity

Density1.42±0.1 g/cm3(Predicted)

Boiling Point

Melting Point

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-3180297 Purity:
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Quality Control of [ 2157462-42-3 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number2157462-42-3
Catalog No.2A-3180297
Chinese Name紫杉醇EP杂质I
Molecular FormulaC61H62N2O16
Molecular Weight967.16
Density1.42±0.1 g/cm3(Predicted)
PubChem ID491664644
SMILESCC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C
InChIInChI=1S/C61H62N2O16/c1-34-41(76-56(72)47(66)45(36-21-11-6-12-22-36)62-53(69)38-25-15-8-16-26-38)32-61(74)52(78-55(71)40-29-19-10-20-30-40)50-59(5,42(65)31-43-60(50,33-75-43)79-35(2)64)51(68)49(44(34)58(61,3)4)77-57(73)48(67)46(37-23-13-7-14-24-37)63-54(70)39-27-17-9-18-28-39/h6-30,41-43,45-50,52,65-67,74H,31-33H2,1-5H3,(H,62,69)(H,63,70)/t41-,42-,43+,45-,46-,47+,48-,49+,50?,52-,59+,60-,61+/m0/s1
InChI KeyMMFNPTUBULOFLH-ZNVQXGABSA-N
NACRES CodeNA.24
UNSPSC12352200
Transport InfoProduct Name: Paclitaxel EP Impurity I
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