| SpectraBase Compound ID | 2Hoxl5rScEY |
|---|---|
| InChI | InChI=1S/C25H28O12/c1-13(26)35-19-6-5-16(9-20(19)36-14(2)27)7-8-32-21-12-33-22(29)10-17-18(24(30)31-4)11-34-25(23(17)21)37-15(3)28/h5-6,9,11,17,21,23,25H,7-8,10,12H2,1-4H3/t17-,21-,23+,25+/m1/s1 |
| InChIKey | HRAIHTGTOMAANQ-SOHKFWSESA-N |
| Mol Weight | 520.49 g/mol |
| Molecular Formula | C25H28O12 |
| Exact Mass | 520.158076 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7f1pSrN0xGN |
|---|---|
| Name | 1,6'-Diacetyl-5'-acetoxy-Jasmolactone B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28O12 |
| InChI | InChI=1S/C25H28O12/c1-13(26)35-19-6-5-16(9-20(19)36-14(2)27)7-8-32-21-12-33-22(29)10-17-18(24(30)31-4)11-34-25(23(17)21)37-15(3)28/h5-6,9,11,17,21,23,25H,7-8,10,12H2,1-4H3/t17-,21-,23+,25+/m1/s1 |
| InChIKey | HRAIHTGTOMAANQ-SOHKFWSESA-N |
| Molecular Weight | 520.487 g/mol |
| SMILES | C=1([C@@]2([C@]([C@@](COC(C2)=O)(OCCc2cc(OC(=O)C)c(cc2)OC(=O)C)[H])([H])[C@@](OC1)(OC(=O)C)[H])[H])C(=O)OC |
| SPLASH | splash10-002r-0900100000-1399d29e2a18f8d95b4c |
| Source of Spectrum | X2-52-1069-6 |
| Wiley ID | 1603280 |