| SpectraBase Compound ID | 8jHGQXpKCEm |
|---|---|
| InChI | InChI=1S/C30H40O9/c1-19-15-23-16-28(36-18-22-11-13-24(34-4)14-12-22)39-29(23)30(35-5)26(38-21(3)31)17-27(33)37-20(2)9-7-6-8-10-25(19)32/h6-8,10-14,19-20,23,26,28-30H,9,15-18H2,1-5H3/b7-6+,10-8+/t19-,20-,23-,26-,28-,29+,30+/m1/s1 |
| InChIKey | NJBXKDIYGKXBDR-INGJQTKTSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C30H40O9 |
| Exact Mass | 544.267233 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FOJf0WIq4UC |
|---|---|
| Name | .beta.-Carbonolide B 4-Methoxybenzylacetal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H40O9 |
| InChI | InChI=1S/C30H40O9/c1-19-15-23-16-28(36-18-22-11-13-24(34-4)14-12-22)39-29(23)30(35-5)26(38-21(3)31)17-27(33)37-20(2)9-7-6-8-10-25(19)32/h6-8,10-14,19-20,23,26,28-30H,9,15-18H2,1-5H3/b7-6+,10-8+/t19-,20-,23-,26-,28-,29+,30+/m1/s1 |
| InChIKey | NJBXKDIYGKXBDR-INGJQTKTSA-N |
| Molecular Weight | 544.641 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)C)[H])(OC)[H])[H] |
| SPLASH | splash10-00di-0910000000-2d2fac40f7daa54d06a3 |
| Source of Spectrum | E1-39-72-34 |
| Wiley ID | 1518621 |