| SpectraBase Compound ID | 688QPWQ0yXq |
|---|---|
| InChI | InChI=1S/C29H42O8/c1-16(30)34-15-27(3)10-6-11-29(5)22(27)9-12-28(4)20-14-21(19-13-24(32)37-25(19)33)36-26(35-17(2)31)18(20)7-8-23(28)29/h13,18,20-23,25-26,33H,6-12,14-15H2,1-5H3/t18-,20+,21+,22?,23?,25?,26+,27+,28-,29-/m0/s1 |
| InChIKey | ZSDRTHXMHGHLMW-WOAIOUSMSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C29H42O8 |
| Exact Mass | 518.287968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RXy9yYiOX9 |
|---|---|
| Name | PETROSASPONGIOLIDE_N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O8 |
| InChI | InChI=1S/C29H42O8/c1-16(30)34-15-27(3)10-6-11-29(5)22(27)9-12-28(4)20-14-21(19-13-24(32)37-25(19)33)36-26(35-17(2)31)18(20)7-8-23(28)29/h13,18,20-23,25-26,33H,6-12,14-15H2,1-5H3/t18-,20+,21+,22?,23?,25?,26+,27+,28-,29-/m0/s1 |
| InChIKey | ZSDRTHXMHGHLMW-WOAIOUSMSA-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 | 518.648 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ428 |