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#2;SCORZOAUSTRIACIN;1-ALPHA-H,5-ALPHA-H,6-BETA-H,7-ALPHA-H,11-BETA-H-3-BETA-HYDROXY-11-ALPHA-[(TETRAHYDRO-5-OXO-FURAN-2-YL)-METHYLAMINO)]-METHYLGUAIA-4(15),10

View entire compound with spectra: 2 NMR, and 1 MS (GC)

#2;SCORZOAUSTRIACIN;1-ALPHA-H,5-ALPHA-H,6-BETA-H,7-ALPHA-H,11-BETA-H-3-BETA-HYDROXY-11-ALPHA-[(TETRAHYDRO-5-OXO-FURAN-2-YL)-METHYLAMINO)]-METHYLGUAIA-4(15),10
SpectraBase Compound ID BR1nbY4tWS2
InChI InChI=1S/C20H27NO5/c1-10-3-5-13-15(9-21-8-12-4-6-17(23)25-12)20(24)26-19(13)18-11(2)16(22)7-14(10)18/h12-16,18-19,21-22H,1-9H2/t12?,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey VJLHQOFHYPUZLL-QRIARFFBSA-N
Mol Weight 361.44 g/mol
Molecular Formula C20H27NO5
Exact Mass 361.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8T0vIVYVw5U
Name (3R,3aS,6aR,8S,9aR,9bS)-8-hydroxy-6,9-dimethylene-3-[[(5-oxotetrahydrofuran-2-yl)methylamino]methyl]-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO5
InChI InChI=1S/C20H27NO5/c1-10-3-5-13-15(9-21-8-12-4-6-17(23)25-12)20(24)26-19(13)18-11(2)16(22)7-14(10)18/h12-16,18-19,21-22H,1-9H2/t12?,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey VJLHQOFHYPUZLL-QRIARFFBSA-N
Instrument Name HP5988a
Ionization Type EI
Literature Reference DOI 10.1021/np900378c
Molecular Weight 361.438 g/mol
SMILES O[C@]1(C[C@]2(C(CC[C@]3([C@](CNCC4OC(CC4)=O)(C(O[C@@]3([C@]2(C1=C)[H])[H])=O)[H])[H])=C)[H])[H]
SPLASH splash10-004i-2930000000-5f5e9b6eb16a3bcbed7b
Source of Spectrum G4-73-241-3a
Wiley ID 1846394