Dehydroheteratisine
(2S,3R,6S,9R,10S,18S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosane-4,19-dione
Also Known As: DEHYDROHETERATISINE|(2S,3R,6S,9R,10S,18S)-12-Ethyl-9-hydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1~2,6~.0~1,11~.0~3,9~.0~14,18~]icosane-4,19-dione
CAS: 52341-40-9
| Molecular Formula | C22H31NO5 |
|---|---|
| Molecular Weight | 389.2202 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.2202 |
| Monoisotopic Mass | 389.2202 |
| Heavy Atoms | 28 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 52341-40-9 |
|---|---|
| SMILES | CCN1CC2(CCC(C34[C@H]2C(=O)[C@@H](C31)[C@@]5(CC[C@H]6C[C@H]4[C@H]5C(=O)O6)O)OC)C |
| InChIKey | KSWQOYGHBFLKSV-PYVVFVGSSA-N |
Product Overview
Dehydroheteratisine (CAS 52341-40-9), with molecular formula C22H31NO5 and molecular weight 389.2202 g/mol. IUPAC: (2S,3R,6S,9R,10S,18S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosane-4,19-dione.
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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