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(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

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(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID A9wC75s9QZe
InChI InChI=1S/C23H36O2/c1-21(2,3)25-16-10-12-22(4)15(14-16)6-7-17-18-8-9-20(24)23(18,5)13-11-19(17)22/h6,16-19H,7-14H2,1-5H3/t16-,17-,18-,19-,22-,23-/m0/s1
InChIKey XRQMGIQLKOIPKU-VYAQIDIUSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xPvPQQN9HQ
Name (3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-3-[(2-methylpropan-2-yl)oxy]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[A]phenanthren-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.271530397 u
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-21(2,3)25-16-10-12-22(4)15(14-16)6-7-17-18-8-9-20(24)23(18,5)13-11-19(17)22/h6,16-19H,7-14H2,1-5H3/t16-,17-,18-,19-,22-,23-/m0/s1
InChIKey XRQMGIQLKOIPKU-VYAQIDIUSA-N
Molecular Weight 344.539 g/mol
SMILES [C@]12(C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])C[C@@](OC(C)(C)C)(CC1)[H])C