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(8R,9S,13S,14S)-3-(3-Hydroxy-naphthalen-2-ylmethoxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one

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

(8R,9S,13S,14S)-3-(3-Hydroxy-naphthalen-2-ylmethoxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 7oViv6yRWq0
InChI InChI=1S/C29H30O3/c1-29-13-12-24-23-9-7-22(15-20(23)6-8-25(24)26(29)10-11-28(29)31)32-17-21-14-18-4-2-3-5-19(18)16-27(21)30/h2-5,7,9,14-16,24-26,30H,6,8,10-13,17H2,1H3/t24-,25-,26+,29+/m1/s1
InChIKey BOJHVQRPZAIMQX-JMDODURXSA-N
Mol Weight 426.56 g/mol
Molecular Formula C29H30O3
Exact Mass 426.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvV7Nm2Ubxp
Name (8R,9S,13S,14S)-3-(3-Hydroxy-naphthalen-2-ylmethoxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[A]phenanthren-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.219494823 u
Formula C29H30O3
InChI InChI=1S/C29H30O3/c1-29-13-12-24-23-9-7-22(15-20(23)6-8-25(24)26(29)10-11-28(29)31)32-17-21-14-18-4-2-3-5-19(18)16-27(21)30/h2-5,7,9,14-16,24-26,30H,6,8,10-13,17H2,1H3/t24-,25-,26+,29+/m1/s1
InChIKey BOJHVQRPZAIMQX-JMDODURXSA-N
Molecular Weight 426.556 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC(OCC2=C(C=C3C(=C2)C=CC=C3)O)=C4)[H])(CCC1=O)[H])C