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ISOROSMARININE
SpectraBase Compound ID 5wuavcRaeLa
InChI InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4+
InChIKey YEXVXKIMPBHRQR-NYYWCZLTSA-N
Mol Weight 353.42 g/mol
Molecular Formula C18H27NO6
Exact Mass 353.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5paiKGNUm1
Name Rosmarinine
CAS Registry Number 520-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO6
InChI InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4+
InChIKey YEXVXKIMPBHRQR-NYYWCZLTSA-N
Molecular Weight 353.415 g/mol
SMILES OC1C2COC(C(C(C\C(C(OC3CCN(C1)C23)=O)=C\C)C)(C)O)=O
SPLASH splash10-0006-9200000000-aef71186cc7e10b15956
Source of Spectrum X2-54-497-1
Synonyms Senecionan-11,16-dione, 1,2-dihydro-2,12-dihydroxy-, (1alpha,2alpha)- NSC 125830
Wiley ID 1603945