SpectraBase Compound ID | XbPkAVVMXA |
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InChI | InChI=1S/C27H33ClO12/c1-12-8-19(37-25(34)26(7,10-28)39-16(5)31)21-13(2)24(33)38-23(21)22-18(12)9-20(36-15(4)30)27(22,40-17(6)32)11-35-14(3)29/h18-23H,1-2,8-11H2,3-7H3/t18-,19-,20-,21?,22-,23-,26+,27+/m0/s1 |
InChIKey | LQYWKEUQYDSIES-HBTQKORISA-N |
Mol Weight | 585.0 g/mol |
Molecular Formula | C27H33ClO12 |
Exact Mass | 584.166054 g/mol |
SpectraBase Spectrum ID | Bhv9WPiAaBE |
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Name | CEBELLIN-J-PERACETYLATED |
Compound Number | 4A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C27H33ClO12 |
InChI | InChI=1S/C27H33ClO12/c1-12-8-19(37-25(34)26(7,10-28)39-16(5)31)21-13(2)24(33)38-23(21)22-18(12)9-20(36-15(4)30)27(22,40-17(6)32)11-35-14(3)29/h18-23H,1-2,8-11H2,3-7H3/t18-,19-,20-,21?,22-,23-,26+,27+/m0/s1 |
InChIKey | LQYWKEUQYDSIES-HBTQKORISA-N |
Literature Reference Author | S.OEKSUEZ,G.TOPCU |
Literature Reference Citation | PHYTOCHEM.,37,487(1994) |
Literature Reference DOI | 10.1016/0031-9422(94)85084-4 |
Molecular Weight | 585.005 g/mol |
Solvent | CDCl3 |
Source File Reference | UWLU23179 |