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(6aR,10aR)-1-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
SpectraBase Compound ID DMBcCxEniBs
InChI InChI=1S/C25H38O3/c1-7-8-9-10-13-24(2,3)17-14-21(27-6)23-19-16-18(26)11-12-20(19)25(4,5)28-22(23)15-17/h14-15,19-20H,7-13,16H2,1-6H3/t19-,20-/m1/s1
InChIKey OSWZVICHJWTZBE-WOJBJXKFSA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgXIriCcniJ
Name (6ar,10Ar)-1-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10A-tetrahydro-6ah-benzo[C]chromen-9-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.282095081 u
Formula C25H38O3
InChI InChI=1S/C25H38O3/c1-7-8-9-10-13-24(2,3)17-14-21(27-6)23-19-16-18(26)11-12-20(19)25(4,5)28-22(23)15-17/h14-15,19-20H,7-13,16H2,1-6H3/t19-,20-/m1/s1
InChIKey OSWZVICHJWTZBE-WOJBJXKFSA-N
Molecular Weight 386.576 g/mol
SMILES C1=2[C@]3([C@](CCC(C3)=O)([H])C(OC1=CC(=CC2OC)C(CCCCCC)(C)C)(C)C)[H]