| SpectraBase Compound ID | 76TueLCbetv |
|---|---|
| InChI | InChI=1S/C41H66O9/c1-10-11-12-13-17-34-39(5,43)20-18-31-32(46-34)19-21-40(6)36(47-31)24-33-38(50-40)29(42)25-41(7)35(48-33)22-28(4)30(49-41)16-14-15-26(2)27(3)23-37(44-8)45-9/h10-12,15,23,28-38,42-43H,1,13-14,16-22,24-25H2,2-9H3/b12-11-,26-15+,27-23+/t28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41+/m0/s1 |
| InChIKey | HRNWVGKQBDQUKC-FCSBDKPNSA-N |
| Mol Weight | 703.0 g/mol |
| Molecular Formula | C41H66O9 |
| Exact Mass | 702.470684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uZtNpg7ahy |
|---|---|
| Name | BrEVENAL_ACETAL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O9 |
| InChI | InChI=1S/C41H66O9/c1-10-11-12-13-17-34-39(5,43)20-18-31-32(46-34)19-21-40(6)36(47-31)24-33-38(50-40)29(42)25-41(7)35(48-33)22-28(4)30(49-41)16-14-15-26(2)27(3)23-37(44-8)45-9/h10-12,15,23,28-38,42-43H,1,13-14,16-22,24-25H2,2-9H3/b12-11-,26-15+,27-23+/t28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41+/m0/s1 |
| InChIKey | HRNWVGKQBDQUKC-FCSBDKPNSA-N |
| Literature Reference Author | A.J.BOURDELAIS,H.M.JACOCKS,J.L.C.WRIGHT,P.M.BIGWARFE,D.G.BAD EN |
| Literature Reference Citation | J.NAT.PROD.,68,2(2005) |
| Literature Reference DOI | 10.1021/np049797o |
| Molecular Weight | 702.970 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWMZ8278 |