| SpectraBase Compound ID | ITGWtcJpx1z |
|---|---|
| InChI | InChI=1S/C27H30O16/c1-38-16-7-11(3-4-15(16)29)13(22(33)34)9-41-26(36)27(37)6-5-12-14(23(35)39-2)10-40-24(18(12)27)43-25-21(32)20(31)19(30)17(8-28)42-25/h3-7,9-10,12,17-21,24-25,28-32,37H,8H2,1-2H3,(H,33,34)/b13-9-/t12-,17+,18-,19+,20-,21+,24+,25-,27+/m1/s1 |
| InChIKey | CLSONMZJGDJYSR-ZHSHONKTSA-N |
| Mol Weight | 610.52 g/mol |
| Molecular Formula | C27H30O16 |
| Exact Mass | 610.153385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QQqJR5pnr0 |
|---|---|
| Name | CITRIFOLININ-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O16 |
| InChI | InChI=1S/C27H30O16/c1-38-16-7-11(3-4-15(16)29)13(22(33)34)9-41-26(36)27(37)6-5-12-14(23(35)39-2)10-40-24(18(12)27)43-25-21(32)20(31)19(30)17(8-28)42-25/h3-7,9-10,12,17-21,24-25,28-32,37H,8H2,1-2H3,(H,33,34)/b13-9-/t12-,17+,18-,19+,20-,21+,24+,25-,27+/m1/s1 |
| InChIKey | CLSONMZJGDJYSR-ZHSHONKTSA-N |
| Literature Reference Author | J.SCHRIPSEMA,G.P.CAPRINI,D.DAGNINO |
| Literature Reference Citation | ORG.LETTERS,8,5337(2006) |
| Literature Reference DOI | 10.1021/ol0622108 |
| Molecular Weight | 610.526 g/mol |
| Sample ID | 53330 |
| Solvent | Unknown |