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17,18-Dinorcorynan-21-one, 19,20-didehydro-16-[[(4-methylphenyl)sulfonyl]oxy]-, (3.beta.)-(.+-.)-
SpectraBase Compound ID 8QSHWAH341K
InChI InChI=1S/C24H24N2O4S/c1-15-7-9-18(10-8-15)31(28,29)30-14-17-13-22-23-20(11-12-26(22)24(27)16(17)2)19-5-3-4-6-21(19)25-23/h3-10,17,22,25H,2,11-14H2,1H3
InChIKey ZSJWJMQCRGOLCA-UHFFFAOYSA-N
Mol Weight 436.53 g/mol
Molecular Formula C24H24N2O4S
Exact Mass 436.145678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DvkYIvyofz
Name 17,18-Dinorcorynan-21-one, 19,20-didehydro-16-[[(4-methylphenyl)sulfonyl]oxy]-, (3.beta.)-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.145678431 u
Formula C24H24N2O4S
InChI InChI=1S/C24H24N2O4S/c1-15-7-9-18(10-8-15)31(28,29)30-14-17-13-22-23-20(11-12-26(22)24(27)16(17)2)19-5-3-4-6-21(19)25-23/h3-10,17,22,25H,2,11-14H2,1H3
InChIKey ZSJWJMQCRGOLCA-UHFFFAOYSA-N
Molecular Weight 436.526 g/mol
SMILES C1=2C3N(C(=O)C(C(C3)COS(C3=CC=C(C)C=C3)(=O)=O)=C)CCC2C=2C=CC=CC2N1