6β-Oxycodol N-oxide

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Systematic / IUPAC Name: (3S,4R,4aS,7R,7aR,12bS)-4a,7-Dihydroxy-9-methoxy-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline 3-oxide

ID: Reference8358

Other Names: (1S,4S,5R,13R,14R,17S)-10-Methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-14,17-diol 4-oxide

Formula: C18H23NO5

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

Spectral Data

6β-Oxycodol 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 12:34:13 PM
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Identificators

InChI InChI=1S/C18H23NO5/c1-19(22)8-7-17-14-10-3-4-12(23-2)15(14)24-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13-,16+,17+,18-,19+/m1/s1
InChI Key PYNMSKPCGNAJAM-RHJOXZHLSA-N
Canonical SMILES C[N@@+]1([O-])[C@H]2[C@@]3(O)[C@]4(CC1)[C@](OC5=C4C(C2)=CC=C5OC)([H])[C@H](O)CC3
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Other Names (1S,4S,5R,13R,14R,17S)-10-Methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-14,17-diol 4-oxide

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ChemSpider 68003960