3-Ketoaphidicolin
(1R,2R,6R,7S,10R,12S,13S)-13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one
Also Known As: 3-Ketoaphidicolin|KST-1A8632|(4r,4as,6ar,8s,9s,11ar,11br)-9-hydroxy-4,9-bis(hydroxymethyl)-4,11b-dimethyldodecahydro-8,11a-methanocyclohepta[a]naphthalen-3(2h)-one
CAS: 86674-65-9
| Molecular Formula | C20H32O4 |
|---|---|
| Molecular Weight | 336.23007 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.23007 |
| Monoisotopic Mass | 336.23007 |
| Heavy Atoms | 24 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 86674-65-9 |
|---|---|
| SMILES | C[C@@]12CCC(=O)[C@@]([C@H]1CC[C@H]3[C@]24CC[C@]([C@@H](C3)C4)(CO)O)(C)CO |
| InChIKey | PCKFULMONJBMIR-XVJCOFAPSA-N |
Product Overview
3-Ketoaphidicolin (CAS 86674-65-9), with molecular formula C20H32O4 and molecular weight 336.23007 g/mol. IUPAC: (1R,2R,6R,7S,10R,12S,13S)-13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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