| SpectraBase Compound ID | BrIXfT1xnpN |
|---|---|
| InChI | InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17?,20+,21-,27?,28-/m1/s1 |
| InChIKey | PXQFFMATXFLUPK-IKPVBWAGSA-N |
| Mol Weight | 490.6 g/mol |
| Molecular Formula | C28H42O7 |
| Exact Mass | 490.293054 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8repqQfia |
|---|---|
| Name | Macrocarpal I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O7 |
| InChI | InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17?,20+,21-,27?,28-/m1/s1 |
| InChIKey | PXQFFMATXFLUPK-IKPVBWAGSA-N |
| Molecular Weight | 490.637 g/mol |
| SMILES | Oc1c(c(c(c(c1C([C@@]1(CC[C@]([C@]2(C1(CC[C@](C2)(C(O)(C)C)[H])C)[H])(O)C)[H])CC(C)C)O)C=O)O)C=O |
| SPLASH | splash10-0udj-0980300000-1ae5d016e1f9e0599f0b |
| Source of Spectrum | G4-59-827-8 |
| Wiley ID | 1606435 |