| SpectraBase Compound ID | GLMnc76yjeS |
|---|---|
| InChI | InChI=1S/C57H101N9O16/c1-13-16-17-18-19-20-21-22-37(69)28-44(70)58-39(25-31(4)5)50(74)59-38(23-24-45(71)72)49(73)66-48-36(12)82-57(81)47(35(11)15-3)65-54(78)43(30-68)63-51(75)40(26-32(6)7)60-53(77)42(29-67)62-52(76)41(27-33(8)9)61-55(79)46(34(10)14-2)64-56(48)80/h31-43,46-48,67-69H,13-30H2,1-12H3,(H,58,70)(H,59,74)(H,60,77)(H,61,79)(H,62,76)(H,63,75)(H,64,80)(H,65,78)(H,66,73)(H,71,72)/t34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,46+,47-,48-/m0/s1 |
| InChIKey | QLBHHKHBJWIIDN-SIAIXKLXSA-N |
| Mol Weight | 1168.5 g/mol |
| Molecular Formula | C57H101N9O16 |
| Exact Mass | 1167.736628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsQwKAJ5uwW |
|---|---|
| Name | PSEUDOPHOMIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H101N9O16 |
| InChI | InChI=1S/C57H101N9O16/c1-13-16-17-18-19-20-21-22-37(69)28-44(70)58-39(25-31(4)5)50(74)59-38(23-24-45(71)72)49(73)66-48-36(12)82-57(81)47(35(11)15-3)65-54(78)43(30-68)63-51(75)40(26-32(6)7)60-53(77)42(29-67)62-52(76)41(27-33(8)9)61-55(79)46(34(10)14-2)64-56(48)80/h31-43,46-48,67-69H,13-30H2,1-12H3,(H,58,70)(H,59,74)(H,60,77)(H,61,79)(H,62,76)(H,63,75)(H,64,80)(H,65,78)(H,66,73)(H,71,72)/t34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,46+,47-,48-/m0/s1 |
| InChIKey | QLBHHKHBJWIIDN-SIAIXKLXSA-N |
| Literature Reference Author | M.S.C.PEDRAS,N.ISMAIL,J.W.QUAIL,S.M.BOYETCHKO |
| Literature Reference Citation | PHYTOCHEM.,62,1105(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00617-9 |
| Molecular Weight | 1168.480 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN26963 |