| SpectraBase Compound ID | 9xKZB9G0Gi0 |
|---|---|
| InChI | InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12-/m1/s1 |
| InChIKey | VREZDOWOLGNDPW-VAQXVFCMSA-N |
| Mol Weight | 325.27 g/mol |
| Molecular Formula | C14H15NO8 |
| Exact Mass | 325.079766 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ImeFVgnXbzV |
|---|---|
| Name | 3-EPIPANCRATISTATIN |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H15NO8 |
| InChI | InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12-/m1/s1 |
| InChIKey | VREZDOWOLGNDPW-VAQXVFCMSA-N |
| Literature Reference Author | G.R.PETTIT,R.TAN,G.H.BAO,N.MELODY,D.L.DOUBEK,S.GAO,J.C.CHAPU IS,L.WILLIAMS |
| Literature Reference Citation | J.NAT.PROD.,75,771(2012) |
| Literature Reference DOI | 10.1021/np200862y |
| Molecular Weight | 325.275 g/mol |
| Sample ID | 40354 |
| Solvent | DMSO-D6 |