| SpectraBase Compound ID | DERjAOM9e0G |
|---|---|
| InChI | InChI=1S/C49H80O10/c1-12-42(51)39(10)46(55)28-40(50)21-18-31(2)27-37(8)47-30-45(54)34(5)17-15-13-14-16-33(4)44(53)29-41-22-20-38(9)49(57-11,59-41)25-24-32(3)26-36(7)43(52)23-19-35(6)48(56)58-47/h13-15,17-19,24,26,33-34,37-43,45-47,50-52,54-55H,12,16,20-23,25,27-30H2,1-11H3/b14-13+,17-15+,31-18+,32-24-,35-19+,36-26+ |
| InChIKey | ZKFVQRGQCSQKPD-KPRMSVDQSA-N |
| Mol Weight | 829.2 g/mol |
| Molecular Formula | C49H80O10 |
| Exact Mass | 828.575149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Hc3vkr60mr |
|---|---|
| Name | HALSTOCTACOSANOLIDE_C_METHYL-ACETAL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H80O10 |
| InChI | InChI=1S/C49H80O10/c1-12-42(51)39(10)46(55)28-40(50)21-18-31(2)27-37(8)47-30-45(54)34(5)17-15-13-14-16-33(4)44(53)29-41-22-20-38(9)49(57-11,59-41)25-24-32(3)26-36(7)43(52)23-19-35(6)48(56)58-47/h13-15,17-19,24,26,33-34,37-43,45-47,50-52,54-55H,12,16,20-23,25,27-30H2,1-11H3/b14-13+,17-15+,31-18+,32-24-,35-19+,36-26+ |
| InChIKey | ZKFVQRGQCSQKPD-KPRMSVDQSA-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 | 829.168 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB149 |