| SpectraBase Compound ID | BDKv1vtKLRn |
|---|---|
| InChI | InChI=1S/C14H13N5O7/c15-10-7-11(17-3-16-10)19(4-18-7)12-8(22)9-5(25-12)1-14(26-9,13(23)24)2-6(20)21/h1,3-4,8-9,12,22H,2H2,(H,20,21)(H,23,24)(H2,15,16,17)/t8-,9-,12-,14+/m0/s1 |
| InChIKey | WRHIKWNGCJVUOW-XYDQJSOLSA-N |
| Mol Weight | 363.29 g/mol |
| Molecular Formula | C14H13N5O7 |
| Exact Mass | 363.081498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PBSV8CUuw5 |
|---|---|
| Name | DEOXY-GRISEOLIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H13N5O7 |
| InChI | InChI=1S/C14H13N5O7/c15-10-7-11(17-3-16-10)19(4-18-7)12-8(22)9-5(25-12)1-14(26-9,13(23)24)2-6(20)21/h1,3-4,8-9,12,22H,2H2,(H,20,21)(H,23,24)(H2,15,16,17)/t8-,9-,12-,14+/m0/s1 |
| InChIKey | WRHIKWNGCJVUOW-XYDQJSOLSA-N |
| Literature Reference Author | R.COOPER,R.MIERZWA,M.PATEL,B.PRAMANIK,M.S.PUAR,J.TROYANOVICH ,V.GULLO |
| Literature Reference Citation | J.NAT.PROD.,51,1207(1988) |
| Literature Reference DOI | 10.1021/np50060a025 |
| Molecular Weight | 363.287 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS13907 |