| SpectraBase Compound ID | KiSCbo6PDOI |
|---|---|
| InChI | InChI=1S/C20H24O7/c1-4-13(10-22)19(24)26-15-8-20(3)16(27-20)6-5-12(9-21)7-14-17(15)11(2)18(23)25-14/h4-7,14-17,21-22H,2,8-10H2,1,3H3/b6-5-,12-7+,13-4+ |
| InChIKey | PJPPGFOTUNLSNL-DFRGFTJASA-N |
| Mol Weight | 376.41 g/mol |
| Molecular Formula | C20H24O7 |
| Exact Mass | 376.152203 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FKXJuepVyU0 |
|---|---|
| Name | Punctaliatrin |
| CAS Registry Number | 49776-54-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24O7 |
| InChI | InChI=1S/C20H24O7/c1-4-13(10-22)19(24)26-15-8-20(3)16(27-20)6-5-12(9-21)7-14-17(15)11(2)18(23)25-14/h4-7,14-17,21-22H,2,8-10H2,1,3H3/b6-5-,12-7+,13-4+ |
| InChIKey | PJPPGFOTUNLSNL-DFRGFTJASA-N |
| Molecular Weight | 376.405 g/mol |
| SMILES | OC\C1=C\C2C(C(OC(\C(CO)=C/C)=O)CC3(C(\C=C/1)O3)C)C(C(O2)=O)=C |
| SPLASH | splash10-0002-9310000000-87fae8a521888134d222 |
| Source of Spectrum | W5-32438-0-0 |
| Wiley ID | 1357663 |