| SpectraBase Compound ID | 9V3zd6FxINf |
|---|---|
| InChI | InChI=1S/C48H74O14/c1-28-22-38(60-48(24-28)39(51)13-12-35(59-48)25-45(7,54)44(53)55-27-29(2)26-49)30(3)10-11-34-15-19-47(58-34)20-16-37-43(62-47)40(52)33(6)42(57-37)36(50)23-32(5)41-31(4)14-18-46(61-41)17-8-9-21-56-46/h10-11,24,30-32,34-43,49-52,54H,2,6,8-9,12-23,25-27H2,1,3-5,7H3/b11-10+/t30?,31-,32+,34+,35+,36+,37?,38-,39-,40+,41?,42-,43?,45?,46+,47+,48+/m0/s1 |
| InChIKey | JFSPCMJQSVQWGQ-LLZHEMPSSA-N |
| Mol Weight | 875.1 g/mol |
| Molecular Formula | C48H74O14 |
| Exact Mass | 874.507857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqWb3jUx6ns |
|---|---|
| Name | JFSPCMJQSVQWGQ-LLZHEMPSSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O14 |
| InChI | InChI=1S/C48H74O14/c1-28-22-38(60-48(24-28)39(51)13-12-35(59-48)25-45(7,54)44(53)55-27-29(2)26-49)30(3)10-11-34-15-19-47(58-34)20-16-37-43(62-47)40(52)33(6)42(57-37)36(50)23-32(5)41-31(4)14-18-46(61-41)17-8-9-21-56-46/h10-11,24,30-32,34-43,49-52,54H,2,6,8-9,12-23,25-27H2,1,3-5,7H3/b11-10+/t30?,31-,32+,34+,35+,36+,37?,38-,39-,40+,41?,42-,43?,45?,46+,47+,48+/m0/s1 |
| InChIKey | JFSPCMJQSVQWGQ-LLZHEMPSSA-N |
| Literature Reference Author | J.J.FERNANDEZ,B.SUAREZ-GOMEZ,M.L.SOUTO,M.NORTE |
| Literature Reference Citation | J.NAT.PROD.,66,1294(2003) |
| Literature Reference DOI | 10.1021/np030110u |
| Molecular Weight | 875.107 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1054 |