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(rac)-(6aR,7S,9aR)-7-isopropyl-2,5,9a-trimethyl-4,6a,7,8,9,9a-hexahydroazuleno[4,5-b]furan
SpectraBase Compound ID 9CV5GmmiM1m
InChI InChI=1S/C18H26O/c1-11(2)15-6-7-18(5)16(15)9-12(3)8-14-10-13(4)19-17(14)18/h9-11,15-16H,6-8H2,1-5H3/t15-,16-,18+/m0/s1
InChIKey JBEWAAYHASDNPU-XYJFISCASA-N
Mol Weight 258.4 g/mol
Molecular Formula C18H26O
Exact Mass 258.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LteHTsD22ys
Name (rac)-(6aR,7S,9aR)-7-isopropyl-2,5,9a-trimethyl-4,6a,7,8,9,9a-hexahydroazuleno[4,5-b]furan
Appearance Colourless oil
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Exact Mass 258.198365456 u
Formula C18H26O
InChI InChI=1S/C18H26O/c1-11(2)15-6-7-18(5)16(15)9-12(3)8-14-10-13(4)19-17(14)18/h9-11,15-16H,6-8H2,1-5H3/t15-,16-,18+/m0/s1
InChIKey JBEWAAYHASDNPU-XYJFISCASA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201803248
Molecular Weight 258.405 g/mol
Quality 31
SMILES [C@@]1(CC[C@@]2([C@]1(C=C(CC1=C2OC(=C1)C)C)[H])C)(C(C)C)[H]
SPLASH splash10-0a4l-0490000000-a1bec7cb825fd1d71b66
Sample Comments Minor diastereomer, dr = 4.1
Source of Spectrum QE-24-SM20-23-minor (DOI: 10.1002/chem.201803248)
Thin-Layer Chromatography 0.70 (petroleum ether, 100%)
Wiley ID 1906051