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6.beta.-Naltrexol-d3
SpectraBase Compound ID GBUNMHAunlQ
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?/m1/s1/i10D2,11D
InChIKey JLVNEHKORQFVQJ-CZGXTYETSA-N
Mol Weight 346.44 g/mol
Molecular Formula C20H22D3NO4
Exact Mass 346.197189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFvXgVHYU44
Name 6.beta.-Naltrexol-d3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22D3NO4
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?/m1/s1/i10D2,11D
InChIKey JLVNEHKORQFVQJ-CZGXTYETSA-N
Molecular Weight 346.441 g/mol
SMILES OC12CCC(C3Oc4c5c(C[C@]1(N(CC[C@@]235)C(C1(CC1)[D])([D])[D])[H])ccc4O)O
SPLASH splash10-0k92-5943000000-0b3cda4875d05f3ed014
Source of Spectrum SWG-33-4570-0
Synonyms 6.alpha.-hydroxy Naltrexone-d3 (5.alpha.,6.beta.)-17-(cyclopropylmethyl)-4,5-epoxy-d3-morphinan-3,6,14-triol 3-((cyclopropyl-1-d)methyl-d2)-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Wiley ID 1811170