7-Deacetylkhivorin
[(1S,2R,4S,7S,8S,12S,13S,15R,19R)-13-acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate
Also Known As: 7-DEACETYLKHIVORIN|Spectrum_000500|SpecPlus_000163|Spectrum2_000231|Spectrum3_000009|Spectrum4_001290|Spectrum5_000019|BSPBio_001617|KBioGR_001639|KBioSS_000980|SPECTRUM100014|KBio3_000697|DivK1c_006259|SPBio_000301|ERK5-4L21|KBio1_001203|KBio2_000980|KBio2_003548|KBio2_006116|SDCCGMLS-0066322.P001|NCGC00179145-01|SR-05000002746-1|BRD-A59539786-001-03-8|((1S,2R,4S,7S,8S,12S,13S,15R,19R)-13-acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo(9.8.0.02,4.02,8.012,17)nonadecan-15-yl) acetate|[(1S,2R,4S,7S,8S,12S,13S,15R,19R)-13-acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate
| Molecular Formula | C30H40O9 |
|---|---|
| Molecular Weight | 544.2672 g/mol |
| LogP | 4.1181 |
| Topological Polar Surface Area | 124.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 544.2672 |
| Monoisotopic Mass | 544.2672 |
| Heavy Atoms | 39 |
| Complexity | 1206.9105 |
Chemical Identifiers
| CAS Number | 23577-64-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@H](C(C2[C@]1(C3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3([C@@H](C2)O)C)O5)C6=COC=C6)C)C)(C)C)OC(=O)C |
Product Overview
7-Deacetylkhivorin (CAS 23577-64-2), with molecular formula C30H40O9 and molecular weight 544.2672 g/mol. IUPAC: [(1S,2R,4S,7S,8S,12S,13S,15R,19R)-13-acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate.
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