| SpectraBase Compound ID | IX2B09Yu15f |
|---|---|
| InChI | InChI=1S/C34H52O9/c1-17-14-34(43-30(17,5)6)33(9,38)29-25(42-34)13-23-22-11-10-21-12-24(39-18(2)35)26(40-19(3)36)15-31(21,7)28(22)27(41-20(4)37)16-32(23,29)8/h17,21-29,38H,10-16H2,1-9H3/t17-,21+,22+,23+,24+,25+,26-,27+,28-,29+,31+,32+,33-,34+/m1/s1 |
| InChIKey | BRQTVCPLRRWTFH-FYBYRUQFSA-N |
| Mol Weight | 604.8 g/mol |
| Molecular Formula | C34H52O9 |
| Exact Mass | 604.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzRFWymJOnC |
|---|---|
| Name | 3,11-DIACETYL-22-EPI-HIPPURIN-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O9 |
| InChI | InChI=1S/C34H52O9/c1-17-14-34(43-30(17,5)6)33(9,38)29-25(42-34)13-23-22-11-10-21-12-24(39-18(2)35)26(40-19(3)36)15-31(21,7)28(22)27(41-20(4)37)16-32(23,29)8/h17,21-29,38H,10-16H2,1-9H3/t17-,21+,22+,23+,24+,25+,26-,27+,28-,29+,31+,32+,33-,34+/m1/s1 |
| InChIKey | BRQTVCPLRRWTFH-FYBYRUQFSA-N |
| Literature Reference Author | C.B.RAO,K.V.RAMANA,D.V.RAO,E.FAHY,D.J.FAULKNER |
| Literature Reference Citation | J.NAT.PROD.,51,954(1988) |
| Literature Reference DOI | 10.1021/np50059a023 |
| Molecular Weight | 604.781 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED18079 |