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3-[(3-Imidazol-1-yl-propylamino)-methyl]-8a-methyl-5-methylene-decahydro-naphtho[2,3-b]furan-2-one
SpectraBase Compound ID GFgPt3Qmp6P
InChI InChI=1S/C21H31N3O2/c1-15-5-3-6-21(2)12-19-16(11-18(15)21)17(20(25)26-19)13-22-7-4-9-24-10-8-23-14-24/h8,10,14,16-19,22H,1,3-7,9,11-13H2,2H3
InChIKey GVQXMWUKRNTWTN-UHFFFAOYSA-N
Mol Weight 357.5 g/mol
Molecular Formula C21H31N3O2
Exact Mass 357.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yBbI9l7Uod
Name 3-[(3-Imidazol-1-yl-propylamino)-methyl]-8A-methyl-5-methylene-decahydro-naphtho[2,3-B]furan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.241627248 u
Formula C21H31N3O2
InChI InChI=1S/C21H31N3O2/c1-15-5-3-6-21(2)12-19-16(11-18(15)21)17(20(25)26-19)13-22-7-4-9-24-10-8-23-14-24/h8,10,14,16-19,22H,1,3-7,9,11-13H2,2H3
InChIKey GVQXMWUKRNTWTN-UHFFFAOYSA-N
Molecular Weight 357.498 g/mol
SMILES C1(C(C2CC3C(CCCC3(CC2O1)C)=C)CNCCCN1C=NC=C1)=O