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(5Z)-5-{(2R,3R,5R,5aS,6R,8aR,9S)-Tetrahydro-3-((S)-2-hydroxybutyl)tetrahydro-6-methyl-2,5-methano-4,3,8a-[1]propanyl[3]ylidenefuro[3,2-f]-1,4-oxazepin-7(5H)-ylidene}-4-methoxy-3-methyl-2(5H)-furanone

View entire compound with spectra: 1 MS (GC)

(5Z)-5-{(2R,3R,5R,5aS,6R,8aR,9S)-Tetrahydro-3-((S)-2-hydroxybutyl)tetrahydro-6-methyl-2,5-methano-4,3,8a-[1]propanyl[3]ylidenefuro[3,2-f]-1,4-oxazepin-7(5H)-ylidene}-4-methoxy-3-methyl-2(5H)-furanone
SpectraBase Compound ID 7i3rWvKBxj0
InChI InChI=1S/C22H29NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,24H,5-9H2,1-4H3/b19-18-/t10-,12+,13-,14+,15-,16+,21-,22+/m1/s1
InChIKey WXCVDEUJZBRYIT-FBHZWIOISA-N
Mol Weight 403.48 g/mol
Molecular Formula C22H29NO6
Exact Mass 403.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FODP5WanAh7
Name (5Z)-5-{(2R,3R,5R,5aS,6R,8aR,9S)-Tetrahydro-3-((S)-2-hydroxybutyl)tetrahydro-6-methyl-2,5-methano-4,3,8a-[1]propanyl[3]ylidenefuro[3,2-f]-1,4-oxazepin-7(5H)-ylidene}-4-methoxy-3-methyl-2(5H)-furanone
Alternate Name(s) 2'-hydroxystemofoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO6
InChI InChI=1S/C22H29NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,24H,5-9H2,1-4H3/b19-18-/t10-,12+,13-,14+,15-,16+,21-,22+/m1/s1
InChIKey WXCVDEUJZBRYIT-FBHZWIOISA-N
Molecular Weight 403.475 g/mol
SMILES O[C@](C[C@]12N3CC[C@@]2([C@@]24[C@@]([C@]3(C[C@]1(O4)[H])[H])([H])[C@](\C(=C/1OC(=O)C(=C1OC)C)O2)(C)[H])[H])(CC)[H]
SPLASH splash10-0uk9-0124900000-69eb34a635c4b5196630
Source of Spectrum CBD-1-278-3
Wiley ID 1792444