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(1R,4ar,4bs,10Ar)-1,4A-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydrophenanthrene-1-carbaldehyde

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(1R,4ar,4bs,10Ar)-1,4A-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydrophenanthrene-1-carbaldehyde
SpectraBase Compound ID 23fFWbJUoiD
InChI InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
InChIKey JPCTZWFFRZZTMM-LWYYNNOASA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99kEjjddPSt
Name (1R,4ar,4bs,10Ar)-1,4A-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydrophenanthrene-1-carbaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.229665585 u
Formula C20H30O
InChI InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
InChIKey JPCTZWFFRZZTMM-LWYYNNOASA-N
SMILES C1C[C@@]([C@]2([C@](C1)([C@@]1(C(CC2)=CC(=C(C)C)CC1)[H])C)[H])(C)C=O