| SpectraBase Compound ID | J0RadlQKPwj |
|---|---|
| InChI | InChI=1S/C45H78O21/c1-7-8-14-17-26-18-15-12-10-9-11-13-16-19-28(48)62-39-36(64-42-35(55)32(52)29(49)23(4)57-42)25(6)59-45(40(39)63-41(56)21(2)22(3)47)66-38-34(54)31(51)27(20-46)61-44(38)65-37-33(53)30(50)24(5)58-43(37)60-26/h21-27,29-40,42-47,49-55H,7-20H2,1-6H3/t21?,22?,23-,24-,25+,26?,27-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39+,40-,42+,43+,44+,45+/m1/s1 |
| InChIKey | ZGNFLLKKSGRAGI-QPJWSINZSA-N |
| Mol Weight | 955.1 g/mol |
| Molecular Formula | C45H78O21 |
| Exact Mass | 954.50356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | b4fHnchHpu |
|---|---|
| Name | TYRIANTHIN_7 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78O21 |
| InChI | InChI=1S/C45H78O21/c1-7-8-14-17-26-18-15-12-10-9-11-13-16-19-28(48)62-39-36(64-42-35(55)32(52)29(49)23(4)57-42)25(6)59-45(40(39)63-41(56)21(2)22(3)47)66-38-34(54)31(51)27(20-46)61-44(38)65-37-33(53)30(50)24(5)58-43(37)60-26/h21-27,29-40,42-47,49-55H,7-20H2,1-6H3/t21?,22?,23-,24-,25+,26?,27-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39+,40-,42+,43+,44+,45+/m1/s1 |
| InChIKey | ZGNFLLKKSGRAGI-QPJWSINZSA-N |
| Literature Reference Author | G.MIRON-LOPEZ.M.HERRERA-RUIZ,S.ESTRADO-SOTO,F.AGUIRRE-CRESPO ,L.VAZQUEZ-NAVARRETE |
| Literature Reference Citation | J.NAT.PROD.,70,557(2007) |
| Literature Reference DOI | 10.1021/np0604634 |
| Molecular Weight | 955.102 g/mol |
| Sample ID | 30103 |
| Solvent | ACETONE-D6 |