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(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-Formamidoamphilecta-11(20),15-diene
SpectraBase Compound ID J9YbNTilNd7
InChI InChI=1S/C21H33NO/c1-13(2)10-16-11-15(4)17-8-9-21(5,22-12-23)18-7-6-14(3)19(16)20(17)18/h12,15-20H,1,3,6-11H2,2,4-5H3,(H,22,23)/t15-,16+,17+,18-,19-,20+,21-/m0/s1
InChIKey DIGFXLWYKNYMMN-QCPSMULASA-N
Mol Weight 315.5 g/mol
Molecular Formula C21H33NO
Exact Mass 315.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAycKpc9Dat
Name (1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-Formamidoamphilecta-11(20),15-diene
Appearance Clear oil
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Formula C21H33NO
InChI InChI=1S/C21H33NO/c1-13(2)10-16-11-15(4)17-8-9-21(5,22-12-23)18-7-6-14(3)19(16)20(17)18/h12,15-20H,1,3,6-11H2,2,4-5H3,(H,22,23)/t15-,16+,17+,18-,19-,20+,21-/m0/s1
InChIKey DIGFXLWYKNYMMN-QCPSMULASA-N
Ionization Type EI
Literature Reference DOI 10.1021/np800654w
Optical Rotation [a]D25 = +15.5 (c = 0.22, CHCl3)
Reported Formula C21H33NO
SMILES N([C@]1(CC[C@@]2([C@](C[C@]([C@@]3(C(CC[C@]1([C@@]23[H])[H])=C)[H])(CC(=C)C)[H])(C)[H])[H])C)C=O
SPLASH splash10-05fr-0090000000-6a9429ed97b01c1e63be
Source of Spectrum G4-72-495-5
Wiley ID 1872159