| SpectraBase Compound ID | 8ACYrymPqgE |
|---|---|
| InChI | InChI=1S/C30H52O5/c1-17(8-9-22(34)26(4,5)35)23-19(32)15-28(7)20-14-18(31)24-25(2,3)21(33)10-11-30(24)16-29(20,30)13-12-27(23,28)6/h17-24,31-35H,8-16H2,1-7H3/t17?,18-,19?,20?,21?,22-,23?,24?,27+,28-,29-,30+/m0/s1 |
| InChIKey | NNYKOYIGBZQYAI-ARAUUVQCSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C30H52O5 |
| Exact Mass | 492.381475 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1I6Yz2dVrXf |
|---|---|
| Name | Cyclo-canthogenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O5 |
| InChI | InChI=1S/C30H52O5/c1-17(8-9-22(34)26(4,5)35)23-19(32)15-28(7)20-14-18(31)24-25(2,3)21(33)10-11-30(24)16-29(20,30)13-12-27(23,28)6/h17-24,31-35H,8-16H2,1-7H3/t17?,18-,19?,20?,21?,22-,23?,24?,27+,28-,29-,30+/m0/s1 |
| InChIKey | NNYKOYIGBZQYAI-ARAUUVQCSA-N |
| Molecular Weight | 492.741 g/mol |
| SMILES | OC1C(C2[C@@]3([C@@]4(CC[C@@]5(C(C(CC[C@@](C(O)(C)C)(O)[H])C)C(C[C@]5(C4C[C@@]2(O)[H])C)O)C)C3)CC1)(C)C |
| SPLASH | splash10-072c-0006900000-a98cac50a1baa0dce763 |
| Source of Spectrum | X4-23-682-0 |
| Wiley ID | 1586061 |