6α-Naltrexol

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Systematic / IUPAC Name: (4R,4aS,7S,7aR,12bS)-3-(Cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-E]isoquinoline-4a,7,9-triol

ID: Reference8398

Other Names: (5α,6α)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol;
6a-Naltrexol;
17-(Cyclopropylmethyl)-4,5α-epoxy-morphinan-3,6α,14-triol

Formula: C20H25NO4

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

Spectral Data

6α-Naltrexol 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 2
No. of Spectra 192
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/30/2018 8:42:14 AM
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Identificators

InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1
InChI Key JLVNEHKORQFVQJ-SBCNTATESA-N
Canonical SMILES C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O
CAS 20410984
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Other Names (5α,6α)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol;
6a-Naltrexol;
17-(Cyclopropylmethyl)-4,5α-epoxy-morphinan-3,6α,14-triol

In Other Databases

PubChem 16099582
ChemSpider 10234068
Cayman 21975
ChEMBL CHEMBL468469