| SpectraBase Compound ID | 96rF6VmNpSu |
|---|---|
| InChI | InChI=1S/C49H80O11/c1-12-40(50)38(10)44(54)28-46(56)45(55)26-31(3)25-36(8)47-29-43(53)33(5)17-15-13-14-16-32(4)42(52)27-39-20-19-37(9)49(58-11,60-39)23-22-30(2)24-35(7)41(51)21-18-34(6)48(57)59-47/h13-15,17-18,22,24,26,32-33,36-41,43-47,50-51,53-56H,12,16,19-21,23,25,27-29H2,1-11H3/b14-13+,17-15+,30-22-,31-26+,34-18+,35-24+ |
| InChIKey | PGZWYTXZXBCXOS-DDYPBIQWSA-N |
| Mol Weight | 845.2 g/mol |
| Molecular Formula | C49H80O11 |
| Exact Mass | 844.570063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOQkoRtjqQW |
|---|---|
| Name | HALSTOCTACOSANOLIDE_B_METHYL-ACETAL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H80O11 |
| InChI | InChI=1S/C49H80O11/c1-12-40(50)38(10)44(54)28-46(56)45(55)26-31(3)25-36(8)47-29-43(53)33(5)17-15-13-14-16-32(4)42(52)27-39-20-19-37(9)49(58-11,60-39)23-22-30(2)24-35(7)41(51)21-18-34(6)48(57)59-47/h13-15,17-18,22,24,26,32-33,36-41,43-47,50-51,53-56H,12,16,19-21,23,25,27-29H2,1-11H3/b14-13+,17-15+,30-22-,31-26+,34-18+,35-24+ |
| InChIKey | PGZWYTXZXBCXOS-DDYPBIQWSA-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 | 845.168 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB148 |