| SpectraBase Compound ID | HGpkt38IQ8K |
|---|---|
| InChI | InChI=1S/C43H40Br2O12/c1-22-29(53-35(47)25-11-15-27(44)16-12-25)20-41-32(22)43(51,38(50)57-39(41,3)4)40(5)30(54-36(48)26-13-17-28(45)18-14-26)19-31-42(21-52-31,56-23(2)46)33(40)34(41)55-37(49)24-9-7-6-8-10-24/h6-18,29-31,33-34,51H,19-21H2,1-5H3/t29?,30-,31+,33-,34-,40+,41-,42-,43+/m0/s1 |
| InChIKey | SEIPJGOTFNPUHZ-XBPFQDTASA-N |
| Mol Weight | 908.6 g/mol |
| Molecular Formula | C43H40Br2O12 |
| Exact Mass | 906.088653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11xhK79sbSy |
|---|---|
| Name | SEIPJGOTFNPUHZ-XBPFQDTASA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H40Br2O12 |
| InChI | InChI=1S/C43H40Br2O12/c1-22-29(53-35(47)25-11-15-27(44)16-12-25)20-41-32(22)43(51,38(50)57-39(41,3)4)40(5)30(54-36(48)26-13-17-28(45)18-14-26)19-31-42(21-52-31,56-23(2)46)33(40)34(41)55-37(49)24-9-7-6-8-10-24/h6-18,29-31,33-34,51H,19-21H2,1-5H3/t29?,30-,31+,33-,34-,40+,41-,42-,43+/m0/s1 |
| InChIKey | SEIPJGOTFNPUHZ-XBPFQDTASA-N |
| Literature Reference Author | D.G.VANDERVELDE,G.I.GEORG,S.R.GOLLAPUDI,H.B.JAMPANI,X.Z.LIAN G,L.A.MITSCHER,Q.M.Y |
| Literature Reference Citation | J.NAT.PROD.,57,862(1994) |
| Literature Reference DOI | 10.1021/np50108a032 |
| Molecular Weight | 908.591 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1806 |