| SpectraBase Compound ID | BROAkDNbEoV |
|---|---|
| InChI | InChI=1S/C67H114O27/c1-10-13-15-16-17-18-21-24-28-33-45(71)88-58-53(79)55(92-67-61(94-63-51(77)49(75)48(74)43(35-68)86-63)60(90-62(80)36(4)37(5)69)56(41(9)84-67)87-44(70)30-12-3)40(8)82-65(58)91-54-39(7)83-66-59(52(54)78)89-46(72)34-29-25-22-19-20-23-27-32-42(31-26-14-11-2)85-64-57(93-66)50(76)47(73)38(6)81-64/h12,30,36-43,47-61,63-69,73-79H,10-11,13-29,31-35H2,1-9H3/b30-12+/t36?,37?,38-,39+,40+,41-,42+,43+,47-,48+,49-,50+,51+,52-,53-,54+,55+,56-,57-,58-,59-,60+,61+,63-,64+,65+,66+,67-/m1/s1 |
| InChIKey | WAPREBXTBAPUQK-VWUQMBFGSA-N |
| Mol Weight | 1351.6 g/mol |
| Molecular Formula | C67H114O27 |
| Exact Mass | 1350.754748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nSCjrMpFio |
|---|---|
| Name | MURUCIN_7 |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H114O27 |
| InChI | InChI=1S/C67H114O27/c1-10-13-15-16-17-18-21-24-28-33-45(71)88-58-53(79)55(92-67-61(94-63-51(77)49(75)48(74)43(35-68)86-63)60(90-62(80)36(4)37(5)69)56(41(9)84-67)87-44(70)30-12-3)40(8)82-65(58)91-54-39(7)83-66-59(52(54)78)89-46(72)34-29-25-22-19-20-23-27-32-42(31-26-14-11-2)85-64-57(93-66)50(76)47(73)38(6)81-64/h12,30,36-43,47-61,63-69,73-79H,10-11,13-29,31-35H2,1-9H3/b30-12+/t36?,37?,38-,39+,40+,41-,42+,43+,47-,48+,49-,50+,51+,52-,53-,54+,55+,56-,57-,58-,59-,60+,61+,63-,64+,65+,66+,67-/m1/s1 |
| InChIKey | WAPREBXTBAPUQK-VWUQMBFGSA-N |
| Literature Reference Author | I.LEON,G.MIRON,D.ALONSO |
| Literature Reference Citation | J.NAT.PROD.,69,896(2006) |
| Literature Reference DOI | 10.1021/np0600604 |
| Molecular Weight | 1351.626 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18552 |