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(8S,9S,10R,13S,14S,17S)-17-[(1S)-1-methoxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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(8S,9S,10R,13S,14S,17S)-17-[(1S)-1-methoxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID EsdXGG4LHxD
InChI InChI=1S/C22H34O2/c1-14(24-4)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,2)20(17)10-12-22(18,19)3/h13-14,17-20H,5-12H2,1-4H3/t14-,17-,18+,19-,20-,21-,22+/m0/s1
InChIKey PETCIBKMMBJDKT-IJDPAOOOSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23QFxHUyais
Name (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Methoxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[A]phenanthren-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.255880333 u
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-14(24-4)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,2)20(17)10-12-22(18,19)3/h13-14,17-20H,5-12H2,1-4H3/t14-,17-,18+,19-,20-,21-,22+/m0/s1
InChIKey PETCIBKMMBJDKT-IJDPAOOOSA-N
Molecular Weight 330.512 g/mol
SMILES C1(CC[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@]([C@](C)(OC)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)=O