6β-Hydrocodol N-oxide

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Systematic / IUPAC Name: (1S,4S,5R,13R,14R,17R)-10-Methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13 05,17 07,18]octadeca-7(18),8,10-trien-14-ol 4-oxide

ID: Reference8355

Other Names: Dihydrocodeine N-Oxide;
(3S,4R,4aR,7R,7aR,12bS)-7-Hydroxy-9-methoxy-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline 3-oxide

Formula: C18H23NO4

Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs

Spectral Data

6β-Hydrocodol N-oxide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2018 9:54:08 AM
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Identificators

InChI InChI=1S/C18H23NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13+,17-,18-,19-/m0/s1
InChI Key PYGFOAMHTWPNGY-GJNYRLFGSA-N
Canonical SMILES C[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@H]3[C@H]1C5)O)OC)[O-]
CAS
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Other Names Dihydrocodeine N-Oxide;
(3S,4R,4aR,7R,7aR,12bS)-7-Hydroxy-9-methoxy-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline 3-oxide

In Other Databases

ChemSpider 68003958
PubChem 129318279