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Cyclopropanecarboxamide, N-(4b,5,6,7,8,8a,9,10-octahydro-3-methoxy-4b-methyl-9-phenanthrenyl)- , (4b.alpha.,8a.alpha.,9.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

Cyclopropanecarboxamide, N-(4b,5,6,7,8,8a,9,10-octahydro-3-methoxy-4b-methyl-9-phenanthrenyl)- , (4b.alpha.,8a.alpha.,9.alpha.)-(.+-.)-
SpectraBase Compound ID JJ4Cn5zhviz
InChI InChI=1S/C20H27NO2/c1-20-10-4-3-5-16(20)18(21-19(22)13-6-7-13)11-14-8-9-15(23-2)12-17(14)20/h8-9,12-13,16,18H,3-7,10-11H2,1-2H3,(H,21,22)/t16-,18+,20-/m0/s1
InChIKey ZSNCUWQEXFDEGU-HQRMLTQVSA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LC4CDCZgqDe
Name Cyclopropanecarboxamide, N-(4b,5,6,7,8,8a,9,10-octahydro-3-methoxy-4b-methyl-9-phenanthrenyl)- , (4b.alpha.,8a.alpha.,9.alpha.)-(.+-.)-
CAS Registry Number 94272-75-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-20-10-4-3-5-16(20)18(21-19(22)13-6-7-13)11-14-8-9-15(23-2)12-17(14)20/h8-9,12-13,16,18H,3-7,10-11H2,1-2H3,(H,21,22)/t16-,18+,20-/m0/s1
InChIKey ZSNCUWQEXFDEGU-HQRMLTQVSA-N
Molecular Weight 313.441 g/mol
SMILES N(C(C1CC1)=O)[C@]1([C@]2([C@](c3c(ccc(c3)OC)C1)(C)CCCC2)[H])[H]
SPLASH splash10-01t9-1290000000-3a1354cdc1577b375789
Source of Spectrum H-67-1601-0
Synonyms 3-Methoxy-4b-methyl-cis-4b,5,6,7,8,8a,9,10-octahydro-9-cyclopropancarboxamidophenanthrene (isomer b) N-[(4bS,8aR,9R)-3-methoxy-4b-methyl-4b,5,6,7,8,8a,9,10-octahydro-9-phenanthrenyl]cyclopropanecarboxamide
Wiley ID 1314427