| SpectraBase Compound ID | GRVwUBqcN1O |
|---|---|
| InChI | InChI=1S/C25H30O7/c1-14(5-4-10-25(2,3)31)6-7-17-16(8-9-18(27)24(17)30)21-13-20(29)23-19(28)11-15(26)12-22(23)32-21/h6,8-9,11-12,21,26-28,30-31H,4-5,7,10,13H2,1-3H3/b14-6+/t21-/m0/s1 |
| InChIKey | CCNNANWAOVGRMQ-LDEBPVJWSA-N |
| Mol Weight | 442.51 g/mol |
| Molecular Formula | C25H30O7 |
| Exact Mass | 442.199153 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J30IsxrAA7n |
|---|---|
| Name | Propolin A |
| Appearance | Slightly yellow powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30O7 |
| InChI | InChI=1S/C25H30O7/c1-14(5-4-10-25(2,3)31)6-7-17-16(8-9-18(27)24(17)30)21-13-20(29)23-19(28)11-15(26)12-22(23)32-21/h6,8-9,11-12,21,26-28,30-31H,4-5,7,10,13H2,1-3H3/b14-6+/t21-/m0/s1 |
| InChIKey | CCNNANWAOVGRMQ-LDEBPVJWSA-N |
| Instrument Name | Finnigan MAT 95S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0203180 |
| Molecular Weight | 442.508 g/mol |
| Optical Rotation | [a]D = -4.3 (c = 0.13, CH3OH) |
| Reported Formula | C25H30O7 |
| SMILES | Oc1cc(cc2c1C(C[C@@](c1ccc(c(c1C\C=C\(CCCC(O)(C)C)C)O)O)(O2)[H])=O)O |
| SPLASH | splash10-0fk9-0113900000-e9d62ec0a2760faf6ea6 |
| Source of Spectrum | G4-66-505-2 |
| Wiley ID | 1881326 |