| SpectraBase Compound ID | 9eIsBGNddFS |
|---|---|
| InChI | InChI=1S/C33H47ClO9/c1-22-18-25(16-17-39-21-24-12-14-26(37-5)15-13-24)31-32(38-6)28(42-33(3,4)43-31)19-29(35)40-23(2)10-8-7-9-11-27(22)41-30(36)20-34/h7-9,11-15,22-23,25,27-28,31-32H,10,16-21H2,1-6H3/b8-7+,11-9+/t22-,23-,25+,27+,28-,31+,32+/m1/s1 |
| InChIKey | BUGMBUWCIOGOLA-NBJIYKBVSA-N |
| Mol Weight | 623.2 g/mol |
| Molecular Formula | C33H47ClO9 |
| Exact Mass | 622.290861 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1AwTetxf28 |
|---|---|
| Name | 9-O-Chloroacetyl-6"-dihydro-3,5-isopropylidene-6"-O-(4-methoxybenzyl) Leuconolide A1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H47ClO9 |
| InChI | InChI=1S/C33H47ClO9/c1-22-18-25(16-17-39-21-24-12-14-26(37-5)15-13-24)31-32(38-6)28(42-33(3,4)43-31)19-29(35)40-23(2)10-8-7-9-11-27(22)41-30(36)20-34/h7-9,11-15,22-23,25,27-28,31-32H,10,16-21H2,1-6H3/b8-7+,11-9+/t22-,23-,25+,27+,28-,31+,32+/m1/s1 |
| InChIKey | BUGMBUWCIOGOLA-NBJIYKBVSA-N |
| Molecular Weight | 623.183 g/mol |
| SMILES | [C@]12([C@@]([C@]([C@](C[C@]([C@@](OC(=O)CCl)(\C=C\C=C\C[C@](OC(C2)=O)(C)[H])[H])(C)[H])(CCOCc2ccc(cc2)OC)[H])(OC(O1)(C)C)[H])(OC)[H])[H] |
| SPLASH | splash10-00di-9900000000-4126b2626ad2ecee3b19 |
| Source of Spectrum | E1-39-2825-17 |
| Wiley ID | 1519204 |