| SpectraBase Compound ID | 9oD3iNxJxsw |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20?,21?,23?,24+,26-,27-/m0/s1 |
| InChIKey | RVWQZLJUVIFAOY-ZKJOCJCRSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhXuhMqrmmp |
|---|---|
| Name | PETROSASPONGIOLIDE_M |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20?,21?,23?,24+,26-,27-/m0/s1 |
| InChIKey | RVWQZLJUVIFAOY-ZKJOCJCRSA-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 | 460.611 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ427 |