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3-Methoxy-17-methyl-17a-(dideuteriomethyl)-17a-homo-18-norestra-1,3,5(10),13,15,17-hexaene
SpectraBase Compound ID FFqq834cC4e
InChI InChI=1S/C21H24O/c1-13-4-7-19-17(14(13)2)10-11-20-18-9-6-16(22-3)12-15(18)5-8-21(19)20/h4,6-7,9,12,20-21H,5,8,10-11H2,1-3H3/t20?,21-/m0/s1/i2D2
InChIKey SVPGQDDVDPIIAW-OWFJZILWSA-N
Mol Weight 294.43 g/mol
Molecular Formula C21H222D2O
Exact Mass 294.195269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J33g2V40faP
Name 3-Methoxy-17-methyl-17a-(dideuteriomethyl)-17a-homo-18-norestra-1,3,5(10),13,15,17-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22D2O
InChI InChI=1S/C21H24O/c1-13-4-7-19-17(14(13)2)10-11-20-18-9-6-16(22-3)12-15(18)5-8-21(19)20/h4,6-7,9,12,20-21H,5,8,10-11H2,1-3H3/t20?,21-/m0/s1/i2D2
InChIKey SVPGQDDVDPIIAW-OWFJZILWSA-N
Molecular Weight 294.434 g/mol
SMILES c12c(c(C([2D])[2D])c(cc2)C)CCC2[C@]1(CCc1cc(OC)ccc21)[H]
SPLASH splash10-052f-0970000000-ff0843fd908f590f94f5
Source of Spectrum U-1993-1102-3
Wiley ID 765322