| SpectraBase Compound ID | 8KOrY47nL4n |
|---|---|
| InChI | InChI=1S/C56H96O24/c1-11-14-20-23-33-24-21-18-16-15-17-19-22-25-34(57)74-47-42(65)44(31(9)71-55(47)79-46-38(61)36(59)29(7)69-54(46)73-33)77-56-49(76-51(67)27(5)13-3)48(80-52-40(63)37(60)35(58)28(6)68-52)45(32(10)72-56)78-53-41(64)39(62)43(30(8)70-53)75-50(66)26(4)12-2/h26-33,35-49,52-56,58-65H,11-25H2,1-10H3/t26?,27?,28-,29+,30-,31-,32-,33-,35-,36-,37+,38-,39-,40+,41+,42+,43-,44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-/m0/s1 |
| InChIKey | GYBGSCDMWAFIBP-FQHOCVAPSA-N |
| Mol Weight | 1153.4 g/mol |
| Molecular Formula | C56H96O24 |
| Exact Mass | 1152.629154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAony1TNi4B |
|---|---|
| Name | MURUCOIDIN_III |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H96O24 |
| InChI | InChI=1S/C56H96O24/c1-11-14-20-23-33-24-21-18-16-15-17-19-22-25-34(57)74-47-42(65)44(31(9)71-55(47)79-46-38(61)36(59)29(7)69-54(46)73-33)77-56-49(76-51(67)27(5)13-3)48(80-52-40(63)37(60)35(58)28(6)68-52)45(32(10)72-56)78-53-41(64)39(62)43(30(8)70-53)75-50(66)26(4)12-2/h26-33,35-49,52-56,58-65H,11-25H2,1-10H3/t26?,27?,28-,29+,30-,31-,32-,33-,35-,36-,37+,38-,39-,40+,41+,42+,43-,44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-/m0/s1 |
| InChIKey | GYBGSCDMWAFIBP-FQHOCVAPSA-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 | 1153.364 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18209 |