| SpectraBase Compound ID | FFxK1neCs83 |
|---|---|
| InChI | InChI=1S/C27H40O7/c1-15(28)32-14-25(2)9-5-10-27(4)20(25)8-11-26(3)18-13-19(17-12-22(29)34-24(17)31)33-23(30)16(18)6-7-21(26)27/h12,16,18-21,23-24,30-31H,5-11,13-14H2,1-4H3/t16-,18+,19+,20?,21?,23+,24?,25+,26-,27-/m0/s1 |
| InChIKey | YKDMAPXQYQSVFF-FBBGPVAGSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C27H40O7 |
| Exact Mass | 476.277404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYk486NTjvt |
|---|---|
| Name | PETROSASPONGIOLIDE_Q |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O7 |
| InChI | InChI=1S/C27H40O7/c1-15(28)32-14-25(2)9-5-10-27(4)20(25)8-11-26(3)18-13-19(17-12-22(29)34-24(17)31)33-23(30)16(18)6-7-21(26)27/h12,16,18-21,23-24,30-31H,5-11,13-14H2,1-4H3/t16-,18+,19+,20?,21?,23+,24?,25+,26-,27-/m0/s1 |
| InChIKey | YKDMAPXQYQSVFF-FBBGPVAGSA-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 | 476.610 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ430 |