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 |