| SpectraBase Compound ID | LAIa9g6m75h |
|---|---|
| InChI | InChI=1S/C20H28O5/c1-5-17(2)8-9-20(25)12(10-17)6-7-14-18(3,16(23)24)11-13(21)15(22)19(14,20)4/h5,8-9,12-14,21,25H,1,6-7,10-11H2,2-4H3,(H,23,24)/t12-,13-,14-,17-,18-,19+,20-/m1/s1 |
| InChIKey | ZAQROLXINBYFIL-FSQOVGCKSA-N |
| Mol Weight | 348.44 g/mol |
| Molecular Formula | C20H28O5 |
| Exact Mass | 348.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 86ysLBK8VT7 |
|---|---|
| Name | 1-Oxo-2.beta.,9.alpha.-dihydroxy-13-epi-ent-pimara-11,15-dien-19-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O5 |
| InChI | InChI=1S/C20H28O5/c1-5-17(2)8-9-20(25)12(10-17)6-7-14-18(3,16(23)24)11-13(21)15(22)19(14,20)4/h5,8-9,12-14,21,25H,1,6-7,10-11H2,2-4H3,(H,23,24)/t12-,13-,14-,17-,18-,19+,20-/m1/s1 |
| InChIKey | ZAQROLXINBYFIL-FSQOVGCKSA-N |
| Instrument Name | Micromass Autospec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np800647v |
| Molecular Weight | 348.439 g/mol |
| Reported Formula | C20H28O5 |
| SMILES | OC([C@@]1(C[C@](C([C@]2([C@@]3([C@](CC[C@]12[H])(C[C@@](C=C3)(C=C)C)[H])O)C)=O)(O)[H])C)=O |
| SPLASH | splash10-000j-0932000000-9d4541300b8b8d7af86b |
| Source of Spectrum | G4-72-90-14 |
| Wiley ID | 1872061 |