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(4R,4AR, 5S,7S,8S,8aS)-4,5,7-trimethyl-8-benzyloxy-4-hydroxymethyl-3,4,4a,6,7,8,8a-octahydro-naphthalene
SpectraBase Compound ID 2Cb0y5kAOnD
InChI InChI=1S/C21H30O2/c1-15-12-16(2)20(23-13-17-8-5-4-6-9-17)18-10-7-11-21(3,14-22)19(15)18/h4-10,15-16,18-20,22H,11-14H2,1-3H3
InChIKey HWQDTYZYEXWRJC-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JOxRDI6Ts6
Name (4R,4AR, 5S,7S,8S,8aS)-4,5,7-trimethyl-8-benzyloxy-4-hydroxymethyl-3,4,4a,6,7,8,8a-octahydro-naphthalene
CAS Registry Number 101032-68-2
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Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-15-12-16(2)20(23-13-17-8-5-4-6-9-17)18-10-7-11-21(3,14-22)19(15)18/h4-10,15-16,18-20,22H,11-14H2,1-3H3
InChIKey HWQDTYZYEXWRJC-UHFFFAOYSA-N
Literature Reference J.A. Marshall, J. Grote, J.E.Audia, J. Am. Chem. Soc. 109, 1186 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3