| SpectraBase Compound ID | 1mzfjn9aTOO |
|---|---|
| InChI | InChI=1S/C63H110O25/c1-10-13-22-29-40-30-24-18-16-15-17-19-25-31-41(65)82-54-50(74)61(87-55-46(70)44(68)35(6)77-62(55)81-40)79-37(8)52(54)86-63-57(83-42(66)32-26-21-20-23-28-39(64)27-14-11-2)56(88-59-48(72)45(69)43(67)34(5)76-59)53(38(9)80-63)85-60-49(73)47(71)51(36(7)78-60)84-58(75)33(4)12-3/h33-40,43-57,59-64,67-74H,10-32H2,1-9H3/t33-,34-,35+,36-,37-,38-,39-,40-,43-,44-,45+,46-,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,59-,60-,61-,62-,63-/m0/s1 |
| InChIKey | LGUWRLBGQNAXKS-MUIXIWBISA-N |
| Mol Weight | 1267.5 g/mol |
| Molecular Formula | C63H110O25 |
| Exact Mass | 1266.733619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ekxOnDg7EX |
|---|---|
| Name | MURUCOIDIN_X |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H110O25 |
| InChI | InChI=1S/C63H110O25/c1-10-13-22-29-40-30-24-18-16-15-17-19-25-31-41(65)82-54-50(74)61(87-55-46(70)44(68)35(6)77-62(55)81-40)79-37(8)52(54)86-63-57(83-42(66)32-26-21-20-23-28-39(64)27-14-11-2)56(88-59-48(72)45(69)43(67)34(5)76-59)53(38(9)80-63)85-60-49(73)47(71)51(36(7)78-60)84-58(75)33(4)12-3/h33-40,43-57,59-64,67-74H,10-32H2,1-9H3/t33-,34-,35+,36-,37-,38-,39-,40-,43-,44-,45+,46-,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,59-,60-,61-,62-,63-/m0/s1 |
| InChIKey | LGUWRLBGQNAXKS-MUIXIWBISA-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 | 1267.551 g/mol |
| Sample ID | 28096 |
| Solvent | C5D5N |