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14-epi-Physanicandiol
SpectraBase Compound ID BpYcW7kvCZO
InChI InChI=1S/C20H34O2/c1-14-8-10-18-19(3,4)11-6-12-20(18,5)16(14)9-7-15(2)17(22)13-21/h16-18,21-22H,1-2,6-13H2,3-5H3/t16-,17-,18-,20+/m0/s1
InChIKey BHJIGFXVWBXGGZ-CGBFIWBNSA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvoUdHwriw
Name 14-epi-Physanicandiol
Appearance Pale yellow gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O2
InChI InChI=1S/C20H34O2/c1-14-8-10-18-19(3,4)11-6-12-20(18,5)16(14)9-7-15(2)17(22)13-21/h16-18,21-22H,1-2,6-13H2,3-5H3/t16-,17-,18-,20+/m0/s1
InChIKey BHJIGFXVWBXGGZ-CGBFIWBNSA-N
Instrument Name JEOL JMS-AX505HA
Ionization Type EI
Literature Reference DOI 10.1021/np500688c
Molecular Weight 306.490 g/mol
Optical Rotation [a]D20 = +4 (c = 0.3, CHCl3)
Reported Formula C20H34O2
SMILES O[C@@](CO)(C(CC[C@@]1([C@]2(CCCC([C@@]2(CCC1=C)[H])(C)C)C)[H])=C)[H]
SPLASH splash10-053j-8920000000-bb8cbc4e88413824f603
Source of Spectrum G4-78-206-9
Wiley ID 1865838