4-Desmethyldecaline
6-hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one
Also Known As: 4-Desmethyldecaline|Decaline, O4'-demethyl-, (+-)-|6-hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one|8-hydroxy-9-methoxy-1,3,4,16,17,20,21,21a-octahydro-2h,6h,18h-12,15-etheno-6,20-methanopyrido[2,1-l][1,9,13]benzodioxazacyclohexadecin-18-one|2~5~-Hydroxy-2~4~-methoxy-1~1~,1~3~,1~4~,1~6~,1~7~,1~8~,1~9~,1~9a~-octahydro-1~2~H-3,8-dioxa-1(4,2)-quinolizina-2(1,2),4(1,4)-dibenzenacyclooctaphan-7-one
| Molecular Formula | C25H29NO5 |
|---|---|
| Molecular Weight | 423.20456 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 423.20456 |
| Monoisotopic Mass | 423.20456 |
| Heavy Atoms | 31 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 6303-33-9 |
|---|---|
| SMILES | COC1=C(C=C2C3CC(CC4N3CCCC4)OC(=O)CCC5=CC=C(C=C5)OC2=C1)O |
| InChIKey | BNZQLMXVMRJEMM-UHFFFAOYSA-N |
Product Overview
4-Desmethyldecaline (CAS 6303-33-9), with molecular formula C25H29NO5 and molecular weight 423.20456 g/mol. IUPAC: 6-hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one.
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