| SpectraBase Compound ID | 3tu2bX4arpE |
|---|---|
| InChI | InChI=1S/C28H40O9/c1-8-10-22(31)36-19-13-20-25(34-17(5)29)37-26(35-18(6)30)28(20)21(14-19)27(7,12-11-15(3)9-2)16(4)23(32)24(28)33/h9,13,16,19,21,23-26,32-33H,2-3,8,10-12,14H2,1,4-7H3/t16-,19+,21+,23-,24+,25+,26-,27-,28-/m1/s1 |
| InChIKey | FACSSBRLFWVHQA-OISZFCHFSA-N |
| Mol Weight | 520.6 g/mol |
| Molecular Formula | C28H40O9 |
| Exact Mass | 520.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4PllBJZIpw |
|---|---|
| Name | CASEANIGRESCEN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O9 |
| InChI | InChI=1S/C28H40O9/c1-8-10-22(31)36-19-13-20-25(34-17(5)29)37-26(35-18(6)30)28(20)21(14-19)27(7,12-11-15(3)9-2)16(4)23(32)24(28)33/h9,13,16,19,21,23-26,32-33H,2-3,8,10-12,14H2,1,4-7H3/t16-,19+,21+,23-,24+,25+,26-,27-,28-/m1/s1 |
| InChIKey | FACSSBRLFWVHQA-OISZFCHFSA-N |
| Literature Reference Author | R.B.WILLIAMS,A.NORRIS,J.S.MILLER,C.BIRKINSHAW,F.RATOVOSON,R. ANDRIANTSIFERANA,V.E |
| Literature Reference Citation | J.NAT.PROD.,70,206(2007) |
| Literature Reference DOI | 10.1021/np0605034 |
| Molecular Weight | 520.620 g/mol |
| Sample ID | 29615 |
| Solvent | C6D6 |