| SpectraBase Compound ID | 468CgTniHfH |
|---|---|
| InChI | InChI=1S/C33H52O5/c1-21-23(35)9-10-25-30(5)16-18-32(7)26-19-29(4,27(36)37-8)14-13-28(26,3)15-17-31(32,6)24(30)11-12-33(21,25)20-38-22(2)34/h21,24-26H,9-20H2,1-8H3/t21-,24?,25?,26+,28+,29+,30+,31+,32-,33-/m0/s1 |
| InChIKey | KHXONCDDHKTKRA-RHNKCIQQSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C33H52O5 |
| Exact Mass | 528.381475 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1EC6Jh1DqKo |
|---|---|
| Name | Methyl 24-acetoxy-polpunonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H52O5 |
| InChI | InChI=1S/C33H52O5/c1-21-23(35)9-10-25-30(5)16-18-32(7)26-19-29(4,27(36)37-8)14-13-28(26,3)15-17-31(32,6)24(30)11-12-33(21,25)20-38-22(2)34/h21,24-26H,9-20H2,1-8H3/t21-,24?,25?,26+,28+,29+,30+,31+,32-,33-/m0/s1 |
| InChIKey | KHXONCDDHKTKRA-RHNKCIQQSA-N |
| Molecular Weight | 528.774 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(C[C@@](C(=O)OC)(C)CC[C@@]3(CC2)C)[H])(CC[C@@]2(C1CC[C@@]1([C@](C(=O)CCC21)(C)[H])COC(=O)C)C)C)C |
| SPLASH | splash10-052f-4900000000-e4bf79ac466de3f90fbe |
| Source of Spectrum | X2-57-6-6 |
| Wiley ID | 1605319 |