SpectraBase Compound ID | 1lFYUl6CHWe |
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InChI | InChI=1S/C28H38O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h8,11,13-16,18-21,23,29,31,33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,15+,16-,18-,19-,20?,21-,23+,26+,27-,28+/m1/s1 |
InChIKey | OFEQMSZQMBVXLR-HAXRPGJFSA-N |
Mol Weight | 550.6 g/mol |
Molecular Formula | C28H38O11 |
Exact Mass | 550.241412 g/mol |
SpectraBase Spectrum ID | 4Cyx3NA3ku |
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Name | Bruceanol H |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C28H38O11 |
InChI | InChI=1S/C28H38O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h8,11,13-16,18-21,23,29,31,33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,15+,16-,18-,19-,20?,21-,23+,26+,27-,28+/m1/s1 |
InChIKey | OFEQMSZQMBVXLR-HAXRPGJFSA-N |
Molecular Weight | 550.601 g/mol |
SMILES | O[C@]1([C@@](C2[C@]3(C([C@](C[C@]([C@@]3(C[C@@]3([C@@]22[C@]([C@@]1(OC2)C(=O)OC)([C@](C(O3)=O)(OC(\C=C\(C(C)C)C)=O)[H])[H])[H])[H])(C)[H])(O)[H])=O)C)(O)[H])[H] |
SPLASH | splash10-03di-0900010000-56d61739e96cb9327f5a |
Source of Spectrum | G4-58-1919-4 |
Wiley ID | 1606088 |