| SpectraBase Compound ID | EcD5xZdq4ve |
|---|---|
| InChI | InChI=1S/C45H76O20/c1-7-9-15-18-26-19-16-13-11-10-12-14-17-20-28(47)61-39-36(63-42-35(54)32(51)29(48)23(4)56-42)25(6)58-45(40(39)62-41(55)22(3)8-2)65-38-34(53)31(50)27(21-46)60-44(38)64-37-33(52)30(49)24(5)57-43(37)59-26/h8,23-27,29-40,42-46,48-54H,7,9-21H2,1-6H3/b22-8+/t23-,24-,25+,26+,27-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,42+,43+,44+,45+/m1/s1 |
| InChIKey | MDEMDKARDFUEHH-KLWKAZOBSA-N |
| Mol Weight | 937.1 g/mol |
| Molecular Formula | C45H76O20 |
| Exact Mass | 936.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ko0YeeM958 |
|---|---|
| Name | TYRIANTHIN_8 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O20 |
| InChI | InChI=1S/C45H76O20/c1-7-9-15-18-26-19-16-13-11-10-12-14-17-20-28(47)61-39-36(63-42-35(54)32(51)29(48)23(4)56-42)25(6)58-45(40(39)62-41(55)22(3)8-2)65-38-34(53)31(50)27(21-46)60-44(38)64-37-33(52)30(49)24(5)57-43(37)59-26/h8,23-27,29-40,42-46,48-54H,7,9-21H2,1-6H3/b22-8+/t23-,24-,25+,26+,27-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,42+,43+,44+,45+/m1/s1 |
| InChIKey | MDEMDKARDFUEHH-KLWKAZOBSA-N |
| Literature Reference Author | I.LEON-RIVERA,G.MIRON-LOPEZ,G.M.MOLINA-SALINAS,M.HERRERA-RUI Z,S.ESTRADA-SOTO,M.D |
| Literature Reference Citation | J.NAT.PROD.,71,1686(2008) |
| Literature Reference DOI | 10.1021/np800266a |
| Molecular Weight | 937.086 g/mol |
| Sample ID | 29120 |
| Solvent | CD3OD |