| SpectraBase Compound ID | 56i34vG8Mbx |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19-,21-,22?,23+,24+,27-,28+,29-,30+/m1/s1 |
| InChIKey | CYHOTEDWAOHQLA-PLBCAWAYSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3i3Unu346q |
|---|---|
| Name | Mangiferolic acid |
| CAS Registry Number | 4184-34-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19-,21-,22?,23+,24+,27-,28+,29-,30+/m1/s1 |
| InChIKey | CYHOTEDWAOHQLA-PLBCAWAYSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | O[C@@]1(C(C2[C@@]3([C@@]4(CC[C@@]5([C@@]([C@@](CC\C=C\(C(=O)O)C)(C)[H])(CC[C@]5([C@@]4(CC2)[H])C)[H])C)C3)CC1)(C)C)[H] |
| SPLASH | splash10-0aba-6900100000-6d2c4383e54b93a5cc39 |
| Source of Spectrum | F-33-818-0 |
| Wiley ID | 1389476 |