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ent-Trachyloban-17-al
SpectraBase Compound ID 7BLaNFbdXJq
InChI InChI=1S/C20H30O/c1-17(2)6-4-7-18(3)15(17)5-8-19-10-14-13(9-16(18)19)20(14,11-19)12-21/h12-16H,4-11H2,1-3H3/t13-,14+,15-,16+,18-,19-,20+/m1/s1
InChIKey VRDWIHKRSRINBB-MZGDTODISA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COMOTgYVVQz
Name ent-Trachyloban-17-al
Appearance White gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O
InChI InChI=1S/C20H30O/c1-17(2)6-4-7-18(3)15(17)5-8-19-10-14-13(9-16(18)19)20(14,11-19)12-21/h12-16H,4-11H2,1-3H3/t13-,14+,15-,16+,18-,19-,20+/m1/s1
InChIKey VRDWIHKRSRINBB-MZGDTODISA-N
Instrument Name Hewlett-Packard G1800A
Ionization Type EI
Literature Reference DOI 10.1021/np900806j
Molecular Weight 286.459 g/mol
Optical Rotation [a]D20 = -62.7 (c = 0.19, CHCl3)
Reported Formula C20H31O
SMILES C1C[C@@]2([C@@](C(C1)(C)C)(CC[C@@]13[C@]2(C[C@]2([C@](C3)(C=O)[C@]2(C1)[H])[H])[H])[H])C
SPLASH splash10-06fu-9710000000-c6a0921493949eaadf02
Source of Spectrum G4-73-663-11
Wiley ID 1872284