7,8-Didehydro-4,5α-epoxy-3-methoxy-17-methylmorphinan-6α-ol monohydrate

ChemSpider ID: 4515050
Molecular Formula: C₁₈H₂₃NO₄
Monoisotopic mass: 317.16272 Da
Systematic name

(5α,6α)-3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol hydrate (1:1)
SMILES and InChIs

SMILES:

O.O[C@H]2\C=C/[C@H]5[C@@H]4N(CC[C@@]51c3c(O[C@H]12)c(OC)ccc3C4)C Copied

Std. InChI:

InChI=1S/C18H21NO3.H2O/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H2/t11-,12+,13-,17-,18-;/m0./s1 Copied

Std. InChIKey:

WRRSFOZOETZUPG-FFHNEAJVSA-N Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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