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(13S,16R,17S)-16-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol

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

(13S,16R,17S)-16-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
SpectraBase Compound ID 2mpr6XpPwFR
InChI InChI=1S/C23H34O3/c1-23-11-10-19-18-9-7-17(26-2)13-15(18)6-8-20(19)21(23)14-16(22(23)25)5-3-4-12-24/h7,9,13,16,19-22,24-25H,3-6,8,10-12,14H2,1-2H3/t16-,19?,20?,21?,22+,23+/m1/s1
InChIKey BEVUOPWIBWDRRH-IJAIRXEKSA-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 4ZQJIHHrg9n
Name (13S,16R,17S)-16-(4-Hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-17-ol
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/c1-23-11-10-19-18-9-7-17(26-2)13-15(18)6-8-20(19)21(23)14-16(22(23)25)5-3-4-12-24/h7,9,13,16,19-22,24-25H,3-6,8,10-12,14H2,1-2H3/t16-,19?,20?,21?,22+,23+/m1/s1
InChIKey BEVUOPWIBWDRRH-IJAIRXEKSA-N
Molecular Weight 358.522 g/mol
SMILES [C@@]12(C(C3CCC4=C(C3CC2)C=CC(OC)=C4)C[C@]([C@@]1(O)[H])(CCCCO)[H])C