| SpectraBase Compound ID | A8Ms1xZzCRy |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-23(2)11-5-12-25(4)18(23)10-13-24(3)17(16(21(27)28)7-9-19(24)25)8-6-15-14-20(26)30-22(15)29/h6,8,14,16-19,22,29H,5,7,9-13H2,1-4H3,(H,27,28)/b8-6+/t16-,17+,18?,19?,22?,24-,25-/m0/s1 |
| InChIKey | QBUNBRGDEZXPAU-KOIUIHBFSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsLQhmS1e0r |
|---|---|
| Name | PETROSASPONGIOLIDE_R |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-23(2)11-5-12-25(4)18(23)10-13-24(3)17(16(21(27)28)7-9-19(24)25)8-6-15-14-20(26)30-22(15)29/h6,8,14,16-19,22,29H,5,7,9-13H2,1-4H3,(H,27,28)/b8-6+/t16-,17+,18?,19?,22?,24-,25-/m0/s1 |
| InChIKey | QBUNBRGDEZXPAU-KOIUIHBFSA-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 | 416.558 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ431 |