| SpectraBase Spectrum ID |
IMsxZqFUvQS |
| Name |
(3E,5Z)-1-(4-Methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-G]isoquinolin-5-yl)-6-methyl-8-(2,6,6-trimethyl-1-cyclohexenyl)-2-octa-3,5-dienone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.303558800 u |
| Formula |
C30H41NO4 |
| InChI |
InChI=1S/C30H41NO4/c1-20(12-13-24-21(2)10-8-15-30(24,3)4)9-7-11-23(32)18-25-27-22(14-16-31(25)5)17-26-28(29(27)33-6)35-19-34-26/h7,9,11,17,25H,8,10,12-16,18-19H2,1-6H3/b11-7+,20-9- |
| InChIKey |
MURVJQSDIIPTEC-CSZNXQBQSA-N |
| Molecular Weight |
479.661 g/mol |
| SMILES |
C1=2C(N(C)CCC2C=C2OCOC2=C1OC)CC(\C=C\C=C/(CCC1=C(CCCC1(C)C)C)C)=O |
![(3E,5Z)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-8-(2,6,6-trimethyl-1-cyclohexenyl)-2-octa-3,5-dienone](/api/spectrum/IMsxZqFUvQS/structure.png?h=300&w=458 "(3E,5Z)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-8-(2,6,6-trimethyl-1-cyclohexenyl)-2-octa-3,5-dienone")
