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Microphyllanin
SpectraBase Compound ID 9jDeyRBMAJs
InChI InChI=1S/C22H36O3/c1-16(2)22(24-19(5)23)14-11-17(3)8-7-13-21(6)20(25-21)10-9-18(4)12-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+/t20-,21-,22+/m0/s1
InChIKey KGAPWUKEVCIPOW-MDSZWTHSSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HLjVZBJWy
Name Microphyllanin
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-16(2)22(24-19(5)23)14-11-17(3)8-7-13-21(6)20(25-21)10-9-18(4)12-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+/t20-,21-,22+/m0/s1
InChIKey KGAPWUKEVCIPOW-MDSZWTHSSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b00112
Molecular Weight 348.527 g/mol
Optical Rotation [a]D24 = -27.8 (c = 0.35, CHCl3)
Reported Formula C22H36O3
SMILES C1[C@@](OC(=O)C)(C(C)C)CC\C(C)=C\CC[C@]2([C@](O2)([H])CC\C(=C\1)C)C
SPLASH splash10-00du-6790000000-e07835b668a4615dd44f
Source of Spectrum G4-78-1187-3
Wiley ID 1865859