| SpectraBase Compound ID | APzn0aOrfes |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-12-14-11-22(18(12)24)9-6-16-20(3,7-5-8-21(16,4)19(25)26)17(22)10-15(14)27-13(2)23/h14-18,24H,1,5-11H2,2-4H3,(H,25,26)/t14-,15+,16+,17+,18+,20-,21-,22-/m1/s1 |
| InChIKey | GPMKNKRTOWLBPI-YRZBSQLHSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 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 | 6QTEC8E1tdX |
|---|---|
| Name | ent-12.beta.-Acetoxy-15.beta.-hydroxykaur-16-en-19-oic acid |
| Appearance | Colorless hexagonal plates |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-12-14-11-22(18(12)24)9-6-16-20(3,7-5-8-21(16,4)19(25)26)17(22)10-15(14)27-13(2)23/h14-18,24H,1,5-11H2,2-4H3,(H,25,26)/t14-,15+,16+,17+,18+,20-,21-,22-/m1/s1 |
| InChIKey | GPMKNKRTOWLBPI-YRZBSQLHSA-N |
| Instrument Name | Hewlett-Packard 5973 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np030490j |
| Molecular Weight | 376.493 g/mol |
| Optical Rotation | [a]D20 = -58.5 (c = 0.301, MeOH) |
| SMILES | OC([C@]1([C@]2(CC[C@@]34[C@](C([C@]([C@](C[C@]4([C@@]2(CCC1)C)[H])(OC(=O)C)[H])(C3)[H])=C)(O)[H])[H])C)=O |
| SPLASH | splash10-06dj-0933000000-e0e77b24d2ac3dbce3fb |
| Source of Spectrum | G4-67-618-3 |
| Wiley ID | 1881746 |