| SpectraBase Compound ID | DGVRnrINfuC |
|---|---|
| InChI | InChI=1S/C18H28O5/c1-11-10-12-14-16(2,15(21)23-12)7-5-8-17(14,3)18(11,22)9-4-6-13(19)20/h11-12,14,22H,4-10H2,1-3H3,(H,19,20)/t11-,12-,14+,16+,17+,18-/m1/s1 |
| InChIKey | KRTAGCAAGRLSRQ-GCTGDKDVSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C18H28O5 |
| Exact Mass | 324.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqEXWnzvvPd |
|---|---|
| Name | MARRULANIC_ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H28O5 |
| InChI | InChI=1S/C18H28O5/c1-11-10-12-14-16(2,15(21)23-12)7-5-8-17(14,3)18(11,22)9-4-6-13(19)20/h11-12,14,22H,4-10H2,1-3H3,(H,19,20)/t11-,12-,14+,16+,17+,18-/m1/s1 |
| InChIKey | KRTAGCAAGRLSRQ-GCTGDKDVSA-N |
| Literature Reference Author | D.RIGANO,A.GRASSIA,M.BRUNO,S.ROSSELLI,F.PIOZZI,C.FORMISANO,N .A.ARNOLD,F.SENATORE |
| Literature Reference Citation | J.NAT.PROD.,69,836(2006) |
| Literature Reference DOI | 10.1021/np0505420 |
| Molecular Weight | 324.417 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18443 |