| SpectraBase Compound ID | 5DLqVhRSO4Q |
|---|---|
| InChI | InChI=1S/C41H28O27/c42-12-1-7-20(29(53)24(12)48)21-10(5-16(26(50)30(21)54)64-32-11(36(56)57)4-15(45)25(49)31(32)55)37(58)63-6-17-33(66-38(7)59)34-35(41(62)65-17)68-40(61)9-3-14(44)23(47)28(52)19(9)18-8(39(60)67-34)2-13(43)22(46)27(18)51/h1-5,17,33-35,41-55,62H,6H2,(H,56,57)/t17-,33-,34+,35-,41-/m1/s1 |
| InChIKey | KBZKILXBWBDWAU-HSMDYEFISA-N |
| Mol Weight | 952.6 g/mol |
| Molecular Formula | C41H28O27 |
| Exact Mass | 952.081796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3uQSs7dMYV |
|---|---|
| Name | PRAECOXIN-A;BETA-ANOMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H28O27 |
| InChI | InChI=1S/C41H28O27/c42-12-1-7-20(29(53)24(12)48)21-10(5-16(26(50)30(21)54)64-32-11(36(56)57)4-15(45)25(49)31(32)55)37(58)63-6-17-33(66-38(7)59)34-35(41(62)65-17)68-40(61)9-3-14(44)23(47)28(52)19(9)18-8(39(60)67-34)2-13(43)22(46)27(18)51/h1-5,17,33-35,41-55,62H,6H2,(H,56,57)/t17-,33-,34+,35-,41-/m1/s1 |
| InChIKey | KBZKILXBWBDWAU-HSMDYEFISA-N |
| Literature Reference Author | M.W.LEE,T.TANAKA,G.I.NONAKA,I.NISHIOKA |
| Literature Reference Citation | PHYTOCHEM.,31,967(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80049-k |
| Molecular Weight | 952.657 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVN4991 |