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9-Methoxy-4,4-dimethyl-7-pentyl-1a,2,3a,4,9b,9c-hexahydro-3H-oxireno[2',3':3,4] benzo[1,2-c]chromene
SpectraBase Compound ID 2PwelXnrK3v
InChI InChI=1S/C21H30O3/c1-5-6-7-8-13-11-16(22-4)19-17(12-13)24-21(2,3)14-9-10-15-20(23-15)18(14)19/h11-12,14-15,18,20H,5-10H2,1-4H3/t14-,15+,18+,20+/m0/s1
InChIKey PFQJRPLSHPJVDL-QHDJUILOSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wNeeJGOZSB
Name 9-Methoxy-4,4-dimethyl-7-pentyl-1a,2,3a,4,9b,9c-hexahydro-3H-oxireno[2',3':3,4] benzo[1,2-c]chromene
Appearance Yellow oil
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Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-5-6-7-8-13-11-16(22-4)19-17(12-13)24-21(2,3)14-9-10-15-20(23-15)18(14)19/h11-12,14-15,18,20H,5-10H2,1-4H3/t14-,15+,18+,20+/m0/s1
InChIKey PFQJRPLSHPJVDL-QHDJUILOSA-N
Ionization Type EI
Literature Reference DOI 10.1002/open.202000343
Molecular Weight 330.468 g/mol
Reported Formula C21H30O3
SMILES c1(cc(CCCCC)cc2c1[C@]1([C@@](C(O2)(C)C)(CC[C@@]2([C@]1(O2)[H])[H])[H])[H])OC
SPLASH splash10-001r-9175000000-57e7bce529def37ba984
Source of Spectrum CHO-10-SM36-33
Thin-Layer Chromatography Rf = 0.32 (CH/EtOAc, 10:1)
Wiley ID 1865944