| SpectraBase Compound ID | HTEPN78naTo |
|---|---|
| InChI | InChI=1S/C48H76O12/c1-11-38(49)36(10)41(52)26-43(54)42(53)23-29(3)22-32(6)45-27-40(51)31(5)16-14-12-13-15-30(4)39(50)25-37-18-17-35(9)48(58,60-37)20-19-28(2)21-33(7)46(56)44(55)24-34(8)47(57)59-45/h12-14,16,19,21,23-24,30-32,35-38,40-43,45-46,49,51-54,56,58H,11,15,17-18,20,22,25-27H2,1-10H3/b13-12+,16-14+,28-19-,29-23+,33-21+,34-24+ |
| InChIKey | GQHNSYURZJAIPC-IFGCVEQJSA-N |
| Mol Weight | 845.1 g/mol |
| Molecular Formula | C48H76O12 |
| Exact Mass | 844.533678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXpDIntFt5k |
|---|---|
| Name | HALSTOCTACOSANOLIDE_A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O12 |
| InChI | InChI=1S/C48H76O12/c1-11-38(49)36(10)41(52)26-43(54)42(53)23-29(3)22-32(6)45-27-40(51)31(5)16-14-12-13-15-30(4)39(50)25-37-18-17-35(9)48(58,60-37)20-19-28(2)21-33(7)46(56)44(55)24-34(8)47(57)59-45/h12-14,16,19,21,23-24,30-32,35-38,40-43,45-46,49,51-54,56,58H,11,15,17-18,20,22,25-27H2,1-10H3/b13-12+,16-14+,28-19-,29-23+,33-21+,34-24+ |
| InChIKey | GQHNSYURZJAIPC-IFGCVEQJSA-N |
| Literature Reference Author | S.TOHYAMA,K.KAKINUMA,T.EGUCHI |
| Literature Reference Citation | J.ANTIBIOTICS,59,44(2006) |
| Literature Reference DOI | 10.1038/ja.2006.7 |
| Molecular Weight | 845.124 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB147 |