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2,6-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, 6-acetate, [2S-(2.alpha.,4a.alpha.,10a.beta.)]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,6-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, 6-acetate, [2S-(2.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID 56TY7ThBTuL
InChI InChI=1S/C22H32O3/c1-13(2)16-11-15-7-8-19-21(4,5)20(24)9-10-22(19,6)17(15)12-18(16)25-14(3)23/h11-13,19-20,24H,7-10H2,1-6H3
InChIKey JPLKJZITCWNMDO-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kFAdLIULlB
Name 2,6-Phenanthrenediol, 1,2,3,4,4A,9,10,10A-octahydro-1,1,4A-trimethyl-7-(1-methylethyl)-, 6-acetate, [2S-(2.alpha.,4A.alpha.,10A.beta.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.235144887 u
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-13(2)16-11-15-7-8-19-21(4,5)20(24)9-10-22(19,6)17(15)12-18(16)25-14(3)23/h11-13,19-20,24H,7-10H2,1-6H3
InChIKey JPLKJZITCWNMDO-UHFFFAOYSA-N
Molecular Weight 344.495 g/mol
SMILES C1(CCC2(C(C1(C)C)CCC1=C2C=C(C(=C1)C(C)C)OC(C)=O)C)O