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Merck
CN

44528

Supelco

(24aR,28aR)-1,2,9,10,12,13,15,16,23,24,24a,25,26,27,28,28a-Hexadecahydro-3,7:18,22-dimetheno-8,11,14,17,1,24-benzotetraoxadiazacyclohexacosine

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About This Item

Empirical Formula (Hill Notation):
C26H36N2O4
CAS Number:
1350370-67-0
Molecular Weight:
440.58
MDL number:
MFCD24386404
UNSPSC Code:
12352200
PubChem Substance ID:
329756517
NACRES:
NA.21

Key Documents

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Assay

≥97.0% (HPLC)

composition

carbon content, 70.88% (theory)
hydrogen content, 8.24% (theory)
nitrogen content, 6.36% (theory)

suitability

suitable for NMR (spectroscopy)

SMILES string

C1CC[C@H]2NCc3cccc(OCCOCCOCCOc4cccc(CN[C@@H]2C1)c4)c3

InChI

1S/C26H36N2O4/c1-2-10-26-25(9-1)27-19-21-5-3-7-23(17-21)31-15-13-29-11-12-30-14-16-32-24-8-4-6-22(18-24)20-28-26/h3-8,17-18,25-28H,1-2,9-16,19-20H2/t25-,26-/m1/s1

InChI key

PRVQLIQFJVFWJA-CLJLJLNGSA-N

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Regulatory Information

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Thomas P Quinn et al.
The Journal of organic chemistry, 76(24), 10020-10030 (2011-11-02)
A series of new chiral macrocycles containing the trans-1,2-diaminocyclohexane (DACH) subunit and arene- and oligoethylene glycol-derived spacers has been prepared in enantiomerically pure form. Four of the macrocycles have been characterized by X-ray crystallography, which reveals a consistent mode of

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