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C(14a)-Homo-27-nor-14.beta.-gammaceran-3-one

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

C(14a)-Homo-27-nor-14.beta.-gammaceran-3-one
SpectraBase Compound ID 9AeJ4Tklaiw
InChI InChI=1S/C30H50O/c1-26(2)15-8-16-29(6)21-10-12-24-28(5,19-20(21)9-11-22(26)29)17-13-23-27(3,4)25(31)14-18-30(23,24)7/h20-24H,8-19H2,1-7H3
InChIKey QLOZOEFSBNKTES-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzRIIWK2PX5
Name C(14A)-Homo-27-nor-14.beta.-gammaceran-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.386166229 u
Formula C30H50O
InChI InChI=1S/C30H50O/c1-26(2)15-8-16-29(6)21-10-12-24-28(5,19-20(21)9-11-22(26)29)17-13-23-27(3,4)25(31)14-18-30(23,24)7/h20-24H,8-19H2,1-7H3
InChIKey QLOZOEFSBNKTES-UHFFFAOYSA-N
Molecular Weight 426.729 g/mol
SMILES CC12C3C(C)(CC4CCC5C(C4CC3)(C)CCCC5(C)C)CCC1C(C)(C)C(CC2)=O