SpectraBase Compound ID | tuJkU8KUc |
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InChI | InChI=1S/C31H42O9/c1-6-27(33)39-26-18-28(34)38-21(3)10-8-7-9-11-25(32)20(2)16-23-17-29(40-30(23)31(26)36-5)37-19-22-12-14-24(35-4)15-13-22/h7-9,11-15,20-21,23,26,29-31H,6,10,16-19H2,1-5H3/b8-7+,11-9+/t20-,21-,23-,26-,29+,30+,31+/m1/s1 |
InChIKey | YPZJLFULZQSINL-ICABDQOTSA-N |
Mol Weight | 558.7 g/mol |
Molecular Formula | C31H42O9 |
Exact Mass | 558.282883 g/mol |
SpectraBase Spectrum ID | nsMT5sfFw |
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Name | .alpha.-Platenolide W1 4-Methoxybenzylacetal |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C31H42O9 |
InChI | InChI=1S/C31H42O9/c1-6-27(33)39-26-18-28(34)38-21(3)10-8-7-9-11-25(32)20(2)16-23-17-29(40-30(23)31(26)36-5)37-19-22-12-14-24(35-4)15-13-22/h7-9,11-15,20-21,23,26,29-31H,6,10,16-19H2,1-5H3/b8-7+,11-9+/t20-,21-,23-,26-,29+,30+,31+/m1/s1 |
InChIKey | YPZJLFULZQSINL-ICABDQOTSA-N |
Molecular Weight | 558.668 g/mol |
SMILES | [C@@]12([C@]([C@@](CC(O[C@@](C\C=C\C=C\C([C@@](C[C@@]2(C[C@](O1)(OCc1ccc(cc1)OC)[H])[H])(C)[H])=O)(C)[H])=O)(OC(=O)CC)[H])(OC)[H])[H] |
SPLASH | splash10-05fr-6921000000-5dc4741c4e8381cab114 |
Source of Spectrum | E1-39-73-35 |
Wiley ID | 1518618 |