| SpectraBase Compound ID | Dw4km8i9mvp |
|---|---|
| InChI | InChI=1S/C25H38O5/c1-23(2)9-5-10-25(4)18(23)8-11-24(3)16-13-17(15-12-20(26)30-22(15)28)29-21(27)14(16)6-7-19(24)25/h12,14,16-19,21-22,27-28H,5-11,13H2,1-4H3/t14-,16+,17+,18?,19?,21+,22?,24-,25-/m0/s1 |
| InChIKey | KBXIJAUSPXZGMP-GLOHEOJISA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71M2JAslSmw |
|---|---|
| Name | PETROSASPONGIOLIDE_P |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H38O5 |
| InChI | InChI=1S/C25H38O5/c1-23(2)9-5-10-25(4)18(23)8-11-24(3)16-13-17(15-12-20(26)30-22(15)28)29-21(27)14(16)6-7-19(24)25/h12,14,16-19,21-22,27-28H,5-11,13H2,1-4H3/t14-,16+,17+,18?,19?,21+,22?,24-,25-/m0/s1 |
| InChIKey | KBXIJAUSPXZGMP-GLOHEOJISA-N |
| Literature Reference Author | A.RANDAZZO,C.DEBITUS,L.MINALE,P.G.PASTOR,M.J.ALCARAZ,M.PAYA, L.GOMEZ-PALOMA |
| Literature Reference Citation | J.NAT.PROD.,61,571(1998) |
| Literature Reference DOI | 10.1021/np9704922 |
| Molecular Weight | 418.574 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ429 |