| SpectraBase Compound ID | 6gWNqL4gOdX |
|---|---|
| InChI | InChI=1S/C55H94O25/c1-10-12-18-21-31-22-19-16-14-13-15-17-20-23-33(57)74-46-41(65)43(29(8)70-53(46)79-45-37(61)35(59)32(24-56)73-54(45)72-31)77-55-48(76-50(67)26(5)11-2)47(80-51-39(63)36(60)34(58)27(6)68-51)44(30(9)71-55)78-52-40(64)38(62)42(28(7)69-52)75-49(66)25(3)4/h25-32,34-48,51-56,58-65H,10-24H2,1-9H3/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 | TXQJQQFSZZXWBI-HETUDDMNSA-N |
| Mol Weight | 1155.3 g/mol |
| Molecular Formula | C55H94O25 |
| Exact Mass | 1154.608419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jQBzX2r7Ey |
|---|---|
| Name | MURUCOIDIN_VII |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H94O25 |
| InChI | InChI=1S/C55H94O25/c1-10-12-18-21-31-22-19-16-14-13-15-17-20-23-33(57)74-46-41(65)43(29(8)70-53(46)79-45-37(61)35(59)32(24-56)73-54(45)72-31)77-55-48(76-50(67)26(5)11-2)47(80-51-39(63)36(60)34(58)27(6)68-51)44(30(9)71-55)78-52-40(64)38(62)42(28(7)69-52)75-49(66)25(3)4/h25-32,34-48,51-56,58-65H,10-24H2,1-9H3/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 | TXQJQQFSZZXWBI-HETUDDMNSA-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 | 1155.336 g/mol |
| Sample ID | 28098 |
| Solvent | C5D5N |