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3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-2-methoxy-4b,8,8-trimethyl-1-(1-methylethyl)-, acetate, (4bS-trans)-
SpectraBase Compound ID 1QXPZbWig2h
InChI InChI=1S/C23H34O3/c1-14(2)20-16-9-10-19-22(4,5)11-8-12-23(19,6)17(16)13-18(21(20)25-7)26-15(3)24/h13-14,19H,8-12H2,1-7H3/t19-,23+/m0/s1
InChIKey SQASHAMPHCBYAM-WMZHIEFXSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLHeXEnrJjn
Name 3-Phenanthrenol, 4B,5,6,7,8,8A,9,10-octahydro-2-methoxy-4B,8,8-trimethyl-1-(1-methylethyl)-, acetate, (4bs-trans)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.250794952 u
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-14(2)20-16-9-10-19-22(4,5)11-8-12-23(19,6)17(16)13-18(21(20)25-7)26-15(3)24/h13-14,19H,8-12H2,1-7H3/t19-,23+/m0/s1
InChIKey SQASHAMPHCBYAM-WMZHIEFXSA-N
Molecular Weight 358.522 g/mol
SMILES C1=2C(=C(C(C)C)C(=C(C2)OC(=O)C)OC)CC[C@@]2([C@@]1(CCCC2(C)C)C)[H]