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(+)-Erromangine

View entire compound with spectra: 1 MS (GC)

(+)-Erromangine
SpectraBase Compound ID AJW0vZyHb4D
InChI InChI=1S/C21H27NO5/c1-22-7-6-21-11-17(26-4)20(27-5)19(23)18(21)14(22)8-12-9-15(24-2)16(25-3)10-13(12)21/h9-10,14,18H,6-8,11H2,1-5H3/t14-,18-,21+/m0/s1
InChIKey WDSOILMKWXUDGC-DHUIEDIVSA-N
Mol Weight 373.45 g/mol
Molecular Formula C21H27NO5
Exact Mass 373.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pY64w3Pjws
Name (+)-Erromangine
CAS Registry Number 123688-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO5
InChI InChI=1S/C21H27NO5/c1-22-7-6-21-11-17(26-4)20(27-5)19(23)18(21)14(22)8-12-9-15(24-2)16(25-3)10-13(12)21/h9-10,14,18H,6-8,11H2,1-5H3/t14-,18-,21+/m0/s1
InChIKey WDSOILMKWXUDGC-DHUIEDIVSA-N
Molecular Weight 373.449 g/mol
SMILES [C@]123[C@](C(=O)C(=C(C3)OC)OC)([C@@]([H])(N(CC1)C)Cc1c2cc(c(OC)c1)OC)[H]
SPLASH splash10-0ac0-0039000000-521ebdad5b7377513a82
Source of Spectrum I-67-1259-2
Synonyms (9alpha,14alpha)-2,3,6,7-tetramethoxy-17-methyl-6,7-didehydromorphinan-8-one
Wiley ID 1356140