| SpectraBase Compound ID | 5DZxbdHXFNr |
|---|---|
| InChI | InChI=1S/C27H40O7/c1-14(2)13-18(29)32-24-19-21(25(34-24)33-23(30)22(19)31-16(4)28)27(7)12-10-17-20(27)15(3)9-8-11-26(17,5)6/h14,17,19-22,24-25H,3,8-13H2,1-2,4-7H3/t17-,19+,20-,21+,22?,24-,25-,27-/m1/s1 |
| InChIKey | CPHOZIZJFXURJB-YITPFWGKSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C27H40O7 |
| Exact Mass | 476.277404 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2LDPqKOj0yR |
|---|---|
| Name | Chelonaplysin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O7 |
| InChI | InChI=1S/C27H40O7/c1-14(2)13-18(29)32-24-19-21(25(34-24)33-23(30)22(19)31-16(4)28)27(7)12-10-17-20(27)15(3)9-8-11-26(17,5)6/h14,17,19-22,24-25H,3,8-13H2,1-2,4-7H3/t17-,19+,20-,21+,22?,24-,25-,27-/m1/s1 |
| InChIKey | CPHOZIZJFXURJB-YITPFWGKSA-N |
| Molecular Weight | 476.610 g/mol |
| SMILES | [C@]12([C@]([C@]3([C@]4([C@@](C(CCCC4=C)(C)C)([H])CC3)[H])C)([C@@](O[C@]1(OC(=O)CC(C)C)[H])(OC(C2OC(=O)C)=O)[H])[H])[H] |
| SPLASH | splash10-00kr-0941200000-958ecf5396e0aa70f0eb |
| Source of Spectrum | X2-54-231-8 |
| Wiley ID | 1603893 |