SpectraBase Compound ID | Fylb2r5isWY |
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InChI | InChI=1S/C24H30O9/c1-13-19(32-15(3)26)20(27)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13)9-17(33-21(23)28)16-6-8-29-10-16/h6,8,10,13,17-20,27H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,20+,22+,23-,24+/m1/s1 |
InChIKey | PMLCLCIKGSIFMM-ZYVKJICXSA-N |
Mol Weight | 462.5 g/mol |
Molecular Formula | C24H30O9 |
Exact Mass | 462.188983 g/mol |
SpectraBase Spectrum ID | 9xLqI4cf12B |
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Name | 7.alpha.,19-Diacetoxy-4.alpha.,18 : 15,16-diepoxy-6.alpha.-hydroxy-neocleroda-13(16),14-dien-20,12-olide |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C24H30O9 |
InChI | InChI=1S/C24H30O9/c1-13-19(32-15(3)26)20(27)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13)9-17(33-21(23)28)16-6-8-29-10-16/h6,8,10,13,17-20,27H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,20+,22+,23-,24+/m1/s1 |
InChIKey | PMLCLCIKGSIFMM-ZYVKJICXSA-N |
Molecular Weight | 462.495 g/mol |
SMILES | O[C@@]1([C@@]2([C@@]([C@]3(C(O[C@@](C3)(c3cocc3)[H])=O)[C@@]([C@@]1(OC(=O)C)[H])(C)[H])(CCC[C@@]21OC1)[H])COC(=O)C)[H] |
SPLASH | splash10-0006-9310000000-43a61593623a1bfc4e36 |
Source of Spectrum | G4-59-372-12 |
Wiley ID | 1606290 |