| SpectraBase Compound ID | FdF4JYoXDP0 |
|---|---|
| InChI | InChI=1S/C25H36O4/c1-6-15(2)21(26)29-20-10-11-23(4)18(24(20,5)22(27)28)9-12-25-13-16(3)17(14-25)7-8-19(23)25/h6,17-20H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17?,18?,19?,20-,23-,24+,25?/m1/s1 |
| InChIKey | HCVOJPQEMAKKFV-CSHALSGLSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C25H36O4 |
| Exact Mass | 400.26136 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BOlQf0965Zt |
|---|---|
| Name | 3.alpha.-(Tiglinoyloxy)-(ent)-kaur-16-enic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O4 |
| InChI | InChI=1S/C25H36O4/c1-6-15(2)21(26)29-20-10-11-23(4)18(24(20,5)22(27)28)9-12-25-13-16(3)17(14-25)7-8-19(23)25/h6,17-20H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17?,18?,19?,20-,23-,24+,25?/m1/s1 |
| InChIKey | HCVOJPQEMAKKFV-CSHALSGLSA-N |
| Molecular Weight | 400.559 g/mol |
| SMILES | OC([C@]1(C2[C@@](C3CCC4CC3(CC2)CC4=C)(C)CC[C@]1(OC(\C(=C/C)C)=O)[H])C)=O |
| SPLASH | splash10-001i-9012200000-c9feb5064ee43d65c33d |
| Source of Spectrum | X2-56-392-1 |
| Wiley ID | 1604812 |