SpectraBase Compound ID | 5xTlYwjgTth |
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InChI | InChI=1S/C22H34O9/c1-11-7-14-9-19(25)31-21(14)22(27-4)18(29-13(3)23)10-20(26)28-12(2)8-17-16(30-17)6-5-15(11)24/h5-6,11-12,14-19,21-22,24-25H,7-10H2,1-4H3/b6-5+/t11-,12-,14-,15+,16+,17+,18-,19?,21+,22+/m1/s1 |
InChIKey | FSKHBTRISNQYEJ-RRVYLRJESA-N |
Mol Weight | 442.5 g/mol |
Molecular Formula | C22H34O9 |
Exact Mass | 442.220283 g/mol |
SpectraBase Spectrum ID | 56jjSgXjhA |
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Name | Maridonolide II hemiacetal |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H34O9 |
InChI | InChI=1S/C22H34O9/c1-11-7-14-9-19(25)31-21(14)22(27-4)18(29-13(3)23)10-20(26)28-12(2)8-17-16(30-17)6-5-15(11)24/h5-6,11-12,14-19,21-22,24-25H,7-10H2,1-4H3/b6-5+/t11-,12-,14-,15+,16+,17+,18-,19?,21+,22+/m1/s1 |
InChIKey | FSKHBTRISNQYEJ-RRVYLRJESA-N |
Molecular Weight | 442.505 g/mol |
SMILES | O[C@]1(\C=C\[C@@]2(O[C@]2(C[C@](OC(C[C@]([C@@]([C@@]2([C@@](CC(O2)O)(C[C@]1(C)[H])[H])[H])(OC)[H])(OC(=O)C)[H])=O)(C)[H])[H])[H])[H] |
SPLASH | splash10-006y-9100000000-0b91f65e39838be540b7 |
Source of Spectrum | E1-39-2828-4 |
Wiley ID | 1519184 |