| SpectraBase Spectrum ID |
2xG2wheO0W9 |
| Name |
Cylindrol B, ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.224974125 u |
| Formula |
C25H32O5 |
| InChI |
InChI=1S/C25H32O5/c1-15(11-12-25(6)17(3)8-10-22(28)18(25)4)7-9-20-23(30-19(5)27)13-16(2)21(14-26)24(20)29/h7,11-14,17-18,29H,8-10H2,1-6H3/b12-11+,15-7+/t17-,18+,25+/m1/s1 |
| InChIKey |
NGMHDZLTMXPSDD-WBFXBCBTSA-N |
| Molecular Weight |
412.526 g/mol |
| SMILES |
CC(=O)OC1=CC(C)=C(C(O)=C1C\C=C/(C)\C=C\[C@@]1(C)[C@](C)(CCC([C@@]1(C)[H])=O)[H])C=O |
