SpectraBase Spectrum ID |
99cIMt4R8Ns |
Name |
19-Methyl-3,16,33-trioxatetracyclo[19.4.2.1(7,10)]tetracontan-19-en-21-one |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
578.433510344 u |
Formula |
C38H58O4 |
InChI |
InChI=1S/C38H58O4/c1-33-28-37(39)24-16-12-8-4-2-6-10-14-20-26-40-30-34-22-18-19-23-35(34)31-41-27-21-15-11-7-3-5-9-13-17-25-38-29-36(33)32-42-38/h18-19,22-23,28-29,32H,2-17,20-21,24-27,30-31H2,1H3/b33-28+ |
InChIKey |
SLDYWGAYROVUFF-PJJLUWSFSA-N |
Molecular Weight |
578.878 g/mol |
SMILES |
C=12\C(=C\C(=O)CCCCCCCCCCCOCC=3C(COCCCCCCCCCCCC(=C2)OC1)=CC=CC3)C |