| SpectraBase Compound ID | E1pwA1iYJC5 |
|---|---|
| InChI | InChI=1S/C18H27NO7/c1-3-18(24)10(2)6-11(8-20)16(22)26-14-4-5-19-7-13(21)12(15(14)19)9-25-17(18)23/h8,10,12-15,20-21,24H,3-7,9H2,1-2H3/b11-8-/t10-,12?,13?,14?,15?,18?/m1/s1 |
| InChIKey | ABKVBECUBBCTQT-ZWVBWTMLSA-N |
| Mol Weight | 369.41 g/mol |
| Molecular Formula | C18H27NO7 |
| Exact Mass | 369.178752 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JiPu2R8GEGv |
|---|---|
| Name | Petitianine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H27NO7 |
| InChI | InChI=1S/C18H27NO7/c1-3-18(24)10(2)6-11(8-20)16(22)26-14-4-5-19-7-13(21)12(15(14)19)9-25-17(18)23/h8,10,12-15,20-21,24H,3-7,9H2,1-2H3/b11-8-/t10-,12?,13?,14?,15?,18?/m1/s1 |
| InChIKey | ABKVBECUBBCTQT-ZWVBWTMLSA-N |
| Molecular Weight | 369.414 g/mol |
| SMILES | OC1(C(OCC2C3C(OC(\C(=C/O)C[C@]1(C)[H])=O)CCN3CC2O)=O)CC |
| SPLASH | splash10-0a4i-9400000000-9f2758a18fcb007e490b |
| Source of Spectrum | X2-54-499-7 |
| Wiley ID | 1604003 |