| SpectraBase Compound ID | KRlvTADiPht |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-12(15-7-8-16-21(3,4)9-6-10-22(15,16)5)18-14-11-17(24)26-20(18)27-19(14)25-13(2)23/h14-16,18-20H,1,6-11H2,2-5H3/t14-,15-,16+,18+,19-,20-,22-/m1/s1 |
| InChIKey | MKSDRGRCSXORMJ-VEQFKGJGSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 38QRuyS06Bm |
|---|---|
| Name | Chelonaplysin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-12(15-7-8-16-21(3,4)9-6-10-22(15,16)5)18-14-11-17(24)26-20(18)27-19(14)25-13(2)23/h14-16,18-20H,1,6-11H2,2-5H3/t14-,15-,16+,18+,19-,20-,22-/m1/s1 |
| InChIKey | MKSDRGRCSXORMJ-VEQFKGJGSA-N |
| Molecular Weight | 376.493 g/mol |
| SMILES | [C@]12(O[C@@](OC(=O)C)([C@@]([C@@]1(C([C@@]1([C@@]3([C@@](C(C)(C)CCC3)([H])CC1)C)[H])=C)[H])(CC(O2)=O)[H])[H])[H] |
| SPLASH | splash10-00dr-0902000000-cf0a291ea295c943f695 |
| Source of Spectrum | X2-54-231-10 |
| Wiley ID | 1603892 |