| SpectraBase Spectrum ID |
AfvJ38ROTjo |
| Name |
Dimethyl 1,19,21,24-tetrahydro-3,12,13,17-tetramethyl-1,19-dioxo-22-thia-22-deazabilin-2,18-dipropanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
575.209006963 u |
| Formula |
C31H33N3O6S |
| InChI |
InChI=1S/C31H33N3O6S/c1-16-17(2)26(15-27-19(4)23(31(38)34-27)10-12-29(36)40-6)32-24(16)13-20-7-8-21(41-20)14-25-18(3)22(30(37)33-25)9-11-28(35)39-5/h7-8,13-15H,9-12H2,1-6H3,(H,33,37)(H,34,38)/b24-13+,25-14+,27-15+ |
| InChIKey |
SHPFIFNUYQXFBM-HNMHDSJISA-N |
| Molecular Weight |
575.680 g/mol |
| SMILES |
C1(=N\C(C(=C1C)C)=C/C=1SC(\C=C/2NC(=O)C(=C2C)CCC(=O)OC)=CC1)\C=C/1NC(=O)C(=C1C)CCC(=O)OC |
