| SpectraBase Compound ID | 4oMUR8vcnho |
|---|---|
| InChI | InChI=1S/C54H90O23/c1-10-13-19-23-33-24-20-17-15-14-16-18-21-25-36(57)72-47-44(75-51-42(63)41(62)43(31(8)68-51)74-49(64)27(4)12-3)32(9)69-54(48(47)73-35(56)22-11-2)77-46-40(61)38(59)34(26-66-50(65)28(5)29(6)55)71-53(46)76-45-39(60)37(58)30(7)67-52(45)70-33/h12,28-34,37-48,51-55,58-63H,10-11,13-26H2,1-9H3/b27-12+/t28?,29?,30-,31-,32+,33?,34-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,51+,52+,53+,54+/m1/s1 |
| InChIKey | LHLFKXPQOIJCPM-YJADNDEISA-N |
| Mol Weight | 1107.3 g/mol |
| Molecular Formula | C54H90O23 |
| Exact Mass | 1106.587289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSBi3dUcog |
|---|---|
| Name | TYRIANTHIN_4 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H90O23 |
| InChI | InChI=1S/C54H90O23/c1-10-13-19-23-33-24-20-17-15-14-16-18-21-25-36(57)72-47-44(75-51-42(63)41(62)43(31(8)68-51)74-49(64)27(4)12-3)32(9)69-54(48(47)73-35(56)22-11-2)77-46-40(61)38(59)34(26-66-50(65)28(5)29(6)55)71-53(46)76-45-39(60)37(58)30(7)67-52(45)70-33/h12,28-34,37-48,51-55,58-63H,10-11,13-26H2,1-9H3/b27-12+/t28?,29?,30-,31-,32+,33?,34-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,51+,52+,53+,54+/m1/s1 |
| InChIKey | LHLFKXPQOIJCPM-YJADNDEISA-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 | 1107.295 g/mol |
| Sample ID | 30100 |
| Solvent | ACETONE-D6 |