| SpectraBase Compound ID | EV45qhkkyrl |
|---|---|
| InChI | InChI=1S/C55H94O24/c1-11-13-19-22-32-23-20-17-15-14-16-18-21-24-33(56)73-46-41(64)43(30(9)70-54(46)78-45-37(60)35(58)28(7)68-53(45)72-32)76-55-48(75-50(66)26(5)12-2)47(79-51-39(62)36(59)34(57)27(6)67-51)44(31(10)71-55)77-52-40(63)38(61)42(29(8)69-52)74-49(65)25(3)4/h25-32,34-48,51-55,57-64H,11-24H2,1-10H3/t26?,27-,28+,29+,30-,31-,32-,34-,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-/m0/s1 |
| InChIKey | IEFBWUNIFJHUDL-WPYMFIFMSA-N |
| Mol Weight | 1139.3 g/mol |
| Molecular Formula | C55H94O24 |
| Exact Mass | 1138.613504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dTHSwn6wVe |
|---|---|
| Name | MURUCOIDIN_II |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H94O24 |
| InChI | InChI=1S/C55H94O24/c1-11-13-19-22-32-23-20-17-15-14-16-18-21-24-33(56)73-46-41(64)43(30(9)70-54(46)78-45-37(60)35(58)28(7)68-53(45)72-32)76-55-48(75-50(66)26(5)12-2)47(79-51-39(62)36(59)34(57)27(6)67-51)44(31(10)71-55)77-52-40(63)38(61)42(29(8)69-52)74-49(65)25(3)4/h25-32,34-48,51-55,57-64H,11-24H2,1-10H3/t26?,27-,28+,29+,30-,31-,32-,34-,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-/m0/s1 |
| InChIKey | IEFBWUNIFJHUDL-WPYMFIFMSA-N |
| Literature Reference Author | L.CHERIGO,R.PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,69,595(2006) |
| Literature Reference DOI | 10.1021/np0504457 |
| Molecular Weight | 1139.337 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18208 |