| SpectraBase Compound ID | 8iURnDxpcT0 |
|---|---|
| InChI | InChI=1S/C55H94O24/c1-11-13-19-22-32-23-20-17-15-14-16-18-21-24-33(56)73-45-41(64)53(78-46-37(60)35(58)28(7)68-54(46)72-32)70-30(9)43(45)77-55-48(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)76-52-40(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+/m1/s1 |
| InChIKey | OABUSCWFFVADDF-JWQSNWOISA-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 | GFj3Fbmm0HF |
|---|---|
| Name | MURUCOIDIN_IX |
| Compound Number | 4 |
| 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)73-45-41(64)53(78-46-37(60)35(58)28(7)68-54(46)72-32)70-30(9)43(45)77-55-48(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)76-52-40(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+/m1/s1 |
| InChIKey | OABUSCWFFVADDF-JWQSNWOISA-N |
| Literature Reference Author | L.CHERIGO,R.PEREDA-MIRANDA,M.FRAGOSO-SERRANO,N.JACOBO-HERRER A,G.W.KAATZ,S.GIBBON |
| Literature Reference Citation | J.NAT.PROD.,71,1037(2008) |
| Literature Reference DOI | 10.1021/np800148w |
| Molecular Weight | 1139.337 g/mol |
| Sample ID | 28095 |
| Solvent | C5D5N |