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(4aS,8aS)-4-[2-(3-furyl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one oxime
SpectraBase Compound ID 6D2reDbRpRj
InChI InChI=1S/C20H29NO2/c1-14-16(7-6-15-8-11-23-13-15)20(4)10-5-9-19(2,3)18(20)12-17(14)21-22/h8,11,13,18,22H,5-7,9-10,12H2,1-4H3/t18-,20+/m0/s1
InChIKey VJBRRUITGNNJCM-AZUAARDMSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgaTwABEuOq
Name (4aS,8aS)-4-[2-(3-furyl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one oxime
Appearance White solid
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Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-14-16(7-6-15-8-11-23-13-15)20(4)10-5-9-19(2,3)18(20)12-17(14)21-22/h8,11,13,18,22H,5-7,9-10,12H2,1-4H3/t18-,20+/m0/s1
InChIKey VJBRRUITGNNJCM-AZUAARDMSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c00200
Molecular Weight 315.457 g/mol
Optical Rotation [a]D20 = -15 (c = 0.3, CHCl3)
Reported Formula C20H29O2N
SMILES ON=C1C[C@@]2([C@](CCCC2(C)C)(C(=C1C)CCc1cocc1)C)[H]
SPLASH splash10-00e9-1190000000-97aa6e4458658f9117dd
Source of Spectrum G4-83-2160-7
Wiley ID 1876894