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1-O-acetyl-3-O-methylnarcissidine
SpectraBase Compound ID BehNRYVVyXP
InChI InChI=1S/C21H27NO6/c1-11(23)28-20-17-14-9-16(25-3)15(24-2)8-12(14)10-22-7-6-13(18(17)22)19(26-4)21(20)27-5/h6,8-9,17-21H,7,10H2,1-5H3/t17-,18+,19+,20-,21-/m0/s1
InChIKey YUUHTZSDSDKWDN-ZPAWYTMASA-N
Mol Weight 389.45 g/mol
Molecular Formula C21H27NO6
Exact Mass 389.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Axy0REWa8
Name 1-O-acetyl-3-O-methylnarcissidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO6
InChI InChI=1S/C21H27NO6/c1-11(23)28-20-17-14-9-16(25-3)15(24-2)8-12(14)10-22-7-6-13(18(17)22)19(26-4)21(20)27-5/h6,8-9,17-21H,7,10H2,1-5H3/t17-,18+,19+,20-,21-/m0/s1
InChIKey YUUHTZSDSDKWDN-ZPAWYTMASA-N
Instrument Name Agilent 6890 + MSD 5975
Ionization Type EI
Literature Reference DOI 10.1021/np3003595
Molecular Weight 389.448 g/mol
Optical Rotation [a]22D = -30 (c = 0.18, CHCl3)
Reported Formula C21H28NO6
SMILES c1(c(cc2c(c1)[C@@]1([C@@]([C@]([C@@](C3=CCN(C2)[C@@]13[H])(OC)[H])(OC)[H])(OC(C)=O)[H])[H])OC)OC
SPLASH splash10-05r0-0095000000-2c8a810f2b593c437c29
Source of Spectrum G4-75-1644-2
Wiley ID 1854831