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9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-5-hydroxy-1-(hydroxymethyl)-6-methoxy-1,4a- dimethyl-7-(1-methylethyl)-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID HcmjnpMGiLu
InChI InChI=1S/C21H30O4/c1-12(2)13-9-14-15(23)10-16-20(3,11-22)7-6-8-21(16,4)17(14)18(24)19(13)25-5/h9,12,16,22,24H,6-8,10-11H2,1-5H3
InChIKey LPLKQBPEDOWPAT-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CicFoGlCFxS
Name 9(1H)-Phenanthrenone, 2,3,4,4A,10,10A-hexahydro-5-hydroxy-1-(hydroxymethyl)-6-methoxy-1,4A- dimethyl-7-(1-methylethyl)-, [1S-(1.alpha.,4A.alpha.,10A.beta.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-12(2)13-9-14-15(23)10-16-20(3,11-22)7-6-8-21(16,4)17(14)18(24)19(13)25-5/h9,12,16,22,24H,6-8,10-11H2,1-5H3
InChIKey LPLKQBPEDOWPAT-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C=12C3(C(C(CO)(C)CCC3)CC(C1C=C(C(=C2O)OC)C(C)C)=O)C