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16,28-Secosolanid-1,4-dien-3-one, (22.xi.,25.xi.)-

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16,28-Secosolanid-1,4-dien-3-one, (22.xi.,25.xi.)-
SpectraBase Compound ID 7V7QJf8VFzk
InChI InChI=1S/C27H41NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h11,13,15,17-18,21-25,28H,5-10,12,14,16H2,1-4H3
InChIKey JODMHGJPGVMCIL-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C27H41NO
Exact Mass 395.318815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gpq55HsVNUd
Name 16,28-Secosolanid-1,4-dien-3-one, (22.xi.,25.xi.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.318814943 u
Formula C27H41NO
InChI InChI=1S/C27H41NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h11,13,15,17-18,21-25,28H,5-10,12,14,16H2,1-4H3
InChIKey JODMHGJPGVMCIL-UHFFFAOYSA-N
Molecular Weight 395.631 g/mol
SMILES C1(C=CC2(C(=C1)CCC1C2CCC2(C1CCC2C(C)C1CCC(CN1)C)C)C)=O