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(8R,9S,13S,14S,17S)-17-(Iodoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene

View entire compound with spectra: 1 MS (GC)

(8R,9S,13S,14S,17S)-17-(Iodoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
SpectraBase Compound ID CwrEokFXnuT
InChI InChI=1S/C22H27IO2/c1-21-10-8-18-17-7-5-16(24-2)14-15(17)4-6-19(18)20(21)9-11-22(21,25-3)12-13-23/h5,7,14,18-20H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22-/m1/s1
InChIKey VYUXHUPIGGYVGC-LXHROKJGSA-N
Mol Weight 450.36 g/mol
Molecular Formula C22H27IO2
Exact Mass 450.105575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qPxoE9h97b
Name (8R,9S,13S,14S,17S)-17-(Iodoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.105575107 u
Formula C22H27IO2
InChI InChI=1S/C22H27IO2/c1-21-10-8-18-17-7-5-16(24-2)14-15(17)4-6-19(18)20(21)9-11-22(21,25-3)12-13-23/h5,7,14,18-20H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22-/m1/s1
InChIKey VYUXHUPIGGYVGC-LXHROKJGSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203729
Molecular Weight 450.360 g/mol
Quality 38
SMILES C1=CC2=C(C=C1OC)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(OC)C#CI)[H])C)[H])[H]
SPLASH splash10-00di-0319100000-81a808cdb2425663c836
Source of Spectrum QE-29-SM37-2v (DOI: 10.1002/chem.202203729)
Wiley ID 1909379