| SpectraBase Compound ID | EyjlLnCMRYr |
|---|---|
| InChI | InChI=1S/C34H49NO9/c1-8-35-17-31(18-38-2)14-13-22(40-4)34-21-15-32(37)23(41-5)16-33(43-7,25(28(34)35)26(42-6)27(31)34)24(21)29(32)44-30(36)19-9-11-20(39-3)12-10-19/h9-12,21-29,37H,8,13-18H2,1-7H3/t21?,22-,23-,24?,25?,26-,27?,28?,29+,31-,32-,33+,34-/m0/s1 |
| InChIKey | AFRMHVZQQVWATN-RGVDKIOCSA-N |
| Mol Weight | 615.8 g/mol |
| Molecular Formula | C34H49NO9 |
| Exact Mass | 615.340732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHruazFqZAi |
|---|---|
| Name | CRASSICAUSINE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H49NO9 |
| InChI | InChI=1S/C34H49NO9/c1-8-35-17-31(18-38-2)14-13-22(40-4)34-21-15-32(37)23(41-5)16-33(43-7,25(28(34)35)26(42-6)27(31)34)24(21)29(32)44-30(36)19-9-11-20(39-3)12-10-19/h9-12,21-29,37H,8,13-18H2,1-7H3/t21?,22-,23-,24?,25?,26-,27?,28?,29+,31-,32-,33+,34-/m0/s1 |
| InChIKey | AFRMHVZQQVWATN-RGVDKIOCSA-N |
| Literature Reference Author | F.P.WANG,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,50,55(1987) |
| Literature Reference DOI | 10.1021/np50049a009 |
| Molecular Weight | 615.764 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17494 |