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LOBOPHYTUMIN_C
SpectraBase Compound ID 1Ax1bgh73CE
InChI InChI=1S/C20H32/c1-15(2)8-6-9-16(3)18-11-13-20(5)12-7-10-17(4)19(20)14-18/h8,18-19H,3-4,6-7,9-14H2,1-2,5H3/t18-,19+,20-/m0/s1
InChIKey LOGCGPRBNXVHDX-ZCNNSNEGSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzgpynmceXo
Name Lobophytumin C
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-15(2)8-6-9-16(3)18-11-13-20(5)12-7-10-17(4)19(20)14-18/h8,18-19H,3-4,6-7,9-14H2,1-2,5H3/t18-,19+,20-/m0/s1
InChIKey LOGCGPRBNXVHDX-ZCNNSNEGSA-N
Instrument Name Finnigan-MAT-95
Ionization Type EI
Literature Reference DOI 10.1021/np2003325
Molecular Weight 272.476 g/mol
Optical Rotation [a]D25 = -36.6 (c = 0.45, CHCl3)
Reported Formula C20H32
SMILES C1C[C@@]2([C@@](C(C1)=C)(C[C@](CC2)(C(CCC=C(C)C)=C)[H])[H])C
SPLASH splash10-0829-5980000000-2500061f95f5743242db
Source of Spectrum G4-74-2093-3
Wiley ID 1849024