| SpectraBase Compound ID | BzEE4NeIhVU |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-17-7-4-8-18(2,16(22)23)13(17)9-14(21)20-10-11(5-6-12(17)20)19(3)15(20)24-19/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13+,14-,15+,17+,18-,19+,20-/m1/s1 |
| InChIKey | JRTJMHJAKRSTRL-CLILRYDISA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FLvoRheiH1p |
|---|---|
| Name | ent-7.beta.-Hydroxy-15.beta.,16.beta.-epoxykauran-19-oic acid |
| Appearance | Colorless fine needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-17-7-4-8-18(2,16(22)23)13(17)9-14(21)20-10-11(5-6-12(17)20)19(3)15(20)24-19/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13+,14-,15+,17+,18-,19+,20-/m1/s1 |
| InChIKey | JRTJMHJAKRSTRL-CLILRYDISA-N |
| Instrument Name | Hewlett-Packard 5973 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np030490j |
| Molecular Weight | 334.456 g/mol |
| Optical Rotation | [a]D20 = -41.0 (c = 0.441, MeOH) |
| SMILES | O[C@]1([C@]23[C@]([C@]4([C@@]([C@](C(O)=O)(CCC4)C)(C1)[H])C)(CC[C@](C2)([C@]1(C)O[C@]31[H])[H])[H])[H] |
| SPLASH | splash10-05nr-1912000000-099e298938d94e18bde7 |
| Source of Spectrum | G4-67-619-9 |
| Wiley ID | 1881750 |