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17-Ispropyl-3-methoxy-13-methyl-7,11,12,13,16,17-hexahydro-6h-cyclopenta[a]phenanthrene

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

17-Ispropyl-3-methoxy-13-methyl-7,11,12,13,16,17-hexahydro-6h-cyclopenta[a]phenanthrene
SpectraBase Compound ID 6ArOnB0HzGF
InChI InChI=1S/C22H28O/c1-14(2)20-9-10-21-19-7-5-15-13-16(23-4)6-8-17(15)18(19)11-12-22(20,21)3/h6,8,10,13-14,20H,5,7,9,11-12H2,1-4H3/t20-,22-/m1/s1
InChIKey JSYQLSLPBRLABA-IFMALSPDSA-N
Mol Weight 308.47 g/mol
Molecular Formula C22H28O
Exact Mass 308.214016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4dg70YlMmV
Name 17-Ispropyl-3-methoxy-13-methyl-7,11,12,13,16,17-hexahydro-6H-cyclopenta[A]phenanthrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.214015521 u
Formula C22H28O
InChI InChI=1S/C22H28O/c1-14(2)20-9-10-21-19-7-5-15-13-16(23-4)6-8-17(15)18(19)11-12-22(20,21)3/h6,8,10,13-14,20H,5,7,9,11-12H2,1-4H3/t20-,22-/m1/s1
InChIKey JSYQLSLPBRLABA-IFMALSPDSA-N
Molecular Weight 308.465 g/mol
SMILES C=12C3=C(C4=CC=C(C=C4CC3)OC)CC[C@@]2([C@@](C(C)C)(CC1)[H])C