| SpectraBase Compound ID | 2NsmdA9bhJ9 |
|---|---|
| InChI | InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)62-9-23-33(64-37(58)11-3-17(44)27(51)18(45)4-11)34-35(41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12)66-40(61)14-8-22(49)30(54)32(56)25(14)24-13(39(60)65-34)7-21(48)29(53)31(24)55/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1 |
| InChIKey | VGPJDICYWIEKOF-UUUCSUBKSA-N |
| Mol Weight | 938.7 g/mol |
| Molecular Formula | C41H30O26 |
| Exact Mass | 938.102531 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJi50nITmeG |
|---|---|
| Name | PTEROCARYANIN-C |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H30O26 |
| InChI | InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)62-9-23-33(64-37(58)11-3-17(44)27(51)18(45)4-11)34-35(41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12)66-40(61)14-8-22(49)30(54)32(56)25(14)24-13(39(60)65-34)7-21(48)29(53)31(24)55/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1 |
| InChIKey | VGPJDICYWIEKOF-UUUCSUBKSA-N |
| Literature Reference Author | D.M.O.SERNA,J.H.I.MARTINEZ |
| Literature Reference Citation | MOLECULES,20,17818(2015) |
| Literature Reference DOI | 10.3390/molecules201017818 |
| Molecular Weight | 938.674 g/mol |
| Solvent | Unknown |
| Source File Reference | UWPA5193 |