| SpectraBase Compound ID | 80K7veOzhW7 |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-19(2)21-11-14-30(6)22-10-13-27(3)16-17-28(4,26(32)33)18-23(27)20(22)8-9-24(30)29(21,5)15-12-25(31)34-7/h8,21-24H,1,9-18H2,2-7H3,(H,32,33)/t21?,22?,23?,24?,27-,28-,29-,30-/m0/s1 |
| InChIKey | CCSBYBHYMHPKEY-UPKUDJOXSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BEL6W9FJ9bO |
|---|---|
| Name | Koetjapic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-19(2)21-11-14-30(6)22-10-13-27(3)16-17-28(4,26(32)33)18-23(27)20(22)8-9-24(30)29(21,5)15-12-25(31)34-7/h8,21-24H,1,9-18H2,2-7H3,(H,32,33)/t21?,22?,23?,24?,27-,28-,29-,30-/m0/s1 |
| InChIKey | CCSBYBHYMHPKEY-UPKUDJOXSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | OC([C@@]1(CC2C=3C([C@@]4(CCC([C@@](C4CC3)(CCC(=O)OC)C)C(=C)C)C)CC[C@]2(CC1)C)C)=O |
| SPLASH | splash10-052b-9370000000-45019a793f2c14d8c480 |
| Source of Spectrum | X2-55-658-1 |
| Wiley ID | 1604447 |