| SpectraBase Compound ID | EkJBD4mDjxH |
|---|---|
| InChI | InChI=1S/C55H92O24/c1-11-13-19-22-34-23-20-17-15-14-16-18-21-24-36(58)74-47-44(77-52-42(64)41(63)43(32(9)70-52)75-49(65)26(3)12-2)33(10)71-55(48(47)76-51(67)28(5)30(7)57)79-46-40(62)38(60)35(25-68-50(66)27(4)29(6)56)73-54(46)78-45-39(61)37(59)31(8)69-53(45)72-34/h12,27-35,37-48,52-57,59-64H,11,13-25H2,1-10H3/b26-12+/t27?,28?,29?,30?,31-,32-,33+,34?,35-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,52+,53+,54+,55+/m1/s1 |
| InChIKey | ZLVCYXFBCYGUPD-FZBXBYIZSA-N |
| Mol Weight | 1137.3 g/mol |
| Molecular Formula | C55H92O24 |
| Exact Mass | 1136.597854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7U9SHLnu34t |
|---|---|
| Name | TYRIANTHIN_3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H92O24 |
| InChI | InChI=1S/C55H92O24/c1-11-13-19-22-34-23-20-17-15-14-16-18-21-24-36(58)74-47-44(77-52-42(64)41(63)43(32(9)70-52)75-49(65)26(3)12-2)33(10)71-55(48(47)76-51(67)28(5)30(7)57)79-46-40(62)38(60)35(25-68-50(66)27(4)29(6)56)73-54(46)78-45-39(61)37(59)31(8)69-53(45)72-34/h12,27-35,37-48,52-57,59-64H,11,13-25H2,1-10H3/b26-12+/t27?,28?,29?,30?,31-,32-,33+,34?,35-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,52+,53+,54+,55+/m1/s1 |
| InChIKey | ZLVCYXFBCYGUPD-FZBXBYIZSA-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 | 1137.321 g/mol |
| Sample ID | 30099 |
| Solvent | ACETONE-D6 |