| SpectraBase Compound ID | HzCmF624xCu |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-17-9-12(21)15-18(2)6-4-7-19(3,16(23)24)13(18)5-8-20(15,11-17)10-14(17)22/h12-13,15,21H,4-11H2,1-3H3,(H,23,24)/t12-,13-,15-,17-,18+,19+,20-/m0/s1 |
| InChIKey | SJSXVMKVEKHZPQ-RBLOAEQXSA-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 | 5GZIlLGN0bG |
|---|---|
| Name | 11.beta.-Hydroxyisosteviol |
| Appearance | Fine needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-17-9-12(21)15-18(2)6-4-7-19(3,16(23)24)13(18)5-8-20(15,11-17)10-14(17)22/h12-13,15,21H,4-11H2,1-3H3,(H,23,24)/t12-,13-,15-,17-,18+,19+,20-/m0/s1 |
| InChIKey | SJSXVMKVEKHZPQ-RBLOAEQXSA-N |
| Instrument Name | JEOL JMS-BU20 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030393q |
| Molecular Weight | 334.456 g/mol |
| Optical Rotation | [a]D25 = -64.6 (c = 0.13, MeOH) |
| Reported Formula | C20H30O4 |
| SMILES | O[C@]1(C[C@]2(C[C@@]3([C@@]1([C@]1([C@@]([C@](C(O)=O)(CCC1)C)(CC3)[H])C)[H])CC2=O)C)[H] |
| SPLASH | splash10-0609-0945000000-69de829ade405096ea83 |
| Source of Spectrum | G4-67-409-5 |
| Thin-Layer Chromatography | Rf = 0.64 |
| Wiley ID | 1881685 |