| SpectraBase Compound ID | 3mbdaGTVtOp |
|---|---|
| InChI | InChI=1S/C57H100O21/c1-8-11-13-14-15-16-19-22-27-31-40(60)74-52-45(65)48(76-54-44(64)43(63)47(34(5)68-54)75-53(67)33(4)10-3)35(6)70-56(52)77-49-36(7)69-55-46(66)50(49)73-39(59)30-26-23-20-17-18-21-25-29-37(28-24-12-9-2)71-57-51(78-55)42(62)41(61)38(32-58)72-57/h33-38,41-52,54-58,61-66H,8-32H2,1-7H3/t33-,34-,35+,36+,37-,38-,41-,42+,43-,44+,45-,46-,47-,48+,49+,50+,51-,52-,54-,55+,56+,57-/m0/s1 |
| InChIKey | PNKDMMJOLNPXAC-ZGHZPTNXSA-N |
| Mol Weight | 1121.4 g/mol |
| Molecular Formula | C57H100O21 |
| Exact Mass | 1120.67571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhjY4kRmmXV |
|---|---|
| Name | MURUCOIDIN-XII |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H100O21 |
| InChI | InChI=1S/C57H100O21/c1-8-11-13-14-15-16-19-22-27-31-40(60)74-52-45(65)48(76-54-44(64)43(63)47(34(5)68-54)75-53(67)33(4)10-3)35(6)70-56(52)77-49-36(7)69-55-46(66)50(49)73-39(59)30-26-23-20-17-18-21-25-29-37(28-24-12-9-2)71-57-51(78-55)42(62)41(61)38(32-58)72-57/h33-38,41-52,54-58,61-66H,8-32H2,1-7H3/t33-,34-,35+,36+,37-,38-,41-,42+,43-,44+,45-,46-,47-,48+,49+,50+,51-,52-,54-,55+,56+,57-/m0/s1 |
| InChIKey | PNKDMMJOLNPXAC-ZGHZPTNXSA-N |
| Literature Reference Author | L.CHERIGO,R.PEREDA-MIRANDA,S.GIBBONS |
| Literature Reference Citation | PHYTOCHEM.,70,222(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.12.005 |
| Molecular Weight | 1121.408 g/mol |
| Sample ID | 63974 |
| Solvent | C5D5N |