| SpectraBase Compound ID | 9VCLMXcZSvE |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-8-17(3)24(30)31-16-26(6)15-13-22(29)27(7)20-12-14-25(5,9-2)23(32-18(4)28)19(20)10-11-21(26)27/h9,17,21-23,29H,2,8,10-16H2,1,3-7H3/t17?,21?,22-,23-,25+,26-,27+/m0/s1 |
| InChIKey | QKFZOHYVWBVZEU-FDVDIBFCSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3VbmUMpoQ1j |
|---|---|
| Name | Parnapimarol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-8-17(3)24(30)31-16-26(6)15-13-22(29)27(7)20-12-14-25(5,9-2)23(32-18(4)28)19(20)10-11-21(26)27/h9,17,21-23,29H,2,8,10-16H2,1,3-7H3/t17?,21?,22-,23-,25+,26-,27+/m0/s1 |
| InChIKey | QKFZOHYVWBVZEU-FDVDIBFCSA-N |
| Molecular Weight | 446.628 g/mol |
| SMILES | O[C@@]1([C@@]2(C3=C([C@](OC(=O)C)([C@@](CC3)(C=C)C)[H])CCC2[C@](COC(=O)C(CC)C)(CC1)C)C)[H] |
| SPLASH | splash10-0udr-1494000000-f198c6fb6b595fc63ea6 |
| Source of Spectrum | G4-71-927-1 |
| Wiley ID | 1695002 |