| SpectraBase Compound ID | J1TCh4IDA9b |
|---|---|
| InChI | InChI=1S/C50H86O23/c1-9-10-16-19-30-20-17-14-12-11-13-15-18-21-32(54)68-43-40(71-47-38(60)37(59)39(28(7)64-47)69-45(61)23(2)25(4)52)29(8)65-50(44(43)70-46(62)24(3)26(5)53)73-42-36(58)34(56)31(22-51)67-49(42)72-41-35(57)33(55)27(6)63-48(41)66-30/h23-31,33-44,47-53,55-60H,9-22H2,1-8H3/t23?,24?,25?,26?,27-,28-,29+,30?,31-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44-,47+,48+,49+,50+/m1/s1 |
| InChIKey | NONWDJKCKTUZAI-JMOPTDJJSA-N |
| Mol Weight | 1055.2 g/mol |
| Molecular Formula | C50H86O23 |
| Exact Mass | 1054.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8U0HZst7J0K |
|---|---|
| Name | TYRIANTHIN_5 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H86O23 |
| InChI | InChI=1S/C50H86O23/c1-9-10-16-19-30-20-17-14-12-11-13-15-18-21-32(54)68-43-40(71-47-38(60)37(59)39(28(7)64-47)69-45(61)23(2)25(4)52)29(8)65-50(44(43)70-46(62)24(3)26(5)53)73-42-36(58)34(56)31(22-51)67-49(42)72-41-35(57)33(55)27(6)63-48(41)66-30/h23-31,33-44,47-53,55-60H,9-22H2,1-8H3/t23?,24?,25?,26?,27-,28-,29+,30?,31-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44-,47+,48+,49+,50+/m1/s1 |
| InChIKey | NONWDJKCKTUZAI-JMOPTDJJSA-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 | 1055.219 g/mol |
| Sample ID | 30101 |
| Solvent | ACETONE-D6 |