| SpectraBase Compound ID | FDns3AhDYND |
|---|---|
| InChI | InChI=1S/C28H38O12/c1-8-9-18(31)39-20-13(2)12-17-28(27(7,40-28)24(34)38-17)23(37-15(4)30)21-25(5,22(33)19(20)32)11-10-16(26(21,6)35)36-14(3)29/h10-12,16-17,19-23,32-33,35H,8-9H2,1-7H3/b13-12-/t16-,17+,19-,20+,21-,22+,23-,25+,26-,27+,28+/m0/s1 |
| InChIKey | HKZAOIHUEQOLFS-WLHVCUNHSA-N |
| Mol Weight | 566.6 g/mol |
| Molecular Formula | C28H38O12 |
| Exact Mass | 566.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GnEhsgXwJp |
|---|---|
| Name | BrIARLIDE-K |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O12 |
| InChI | InChI=1S/C28H38O12/c1-8-9-18(31)39-20-13(2)12-17-28(27(7,40-28)24(34)38-17)23(37-15(4)30)21-25(5,22(33)19(20)32)11-10-16(26(21,6)35)36-14(3)29/h10-12,16-17,19-23,32-33,35H,8-9H2,1-7H3/b13-12-/t16-,17+,19-,20+,21-,22+,23-,25+,26-,27+,28+/m0/s1 |
| InChIKey | HKZAOIHUEQOLFS-WLHVCUNHSA-N |
| Literature Reference Author | T.IWAGAWA,N.NISHITANI,M.NAKATANI,M.DOE,Y.MORIMOTO,K.TAKEMURA |
| Literature Reference Citation | J.NAT.PROD.,68,31(2005) |
| Literature Reference DOI | 10.1021/np040133o |
| Molecular Weight | 566.603 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ8442 |