Samarcandin
7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
Also Known As: Samarcandin|Deacetylkellerin|NCI60_019080|7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one|7-((1S,2R,4aS,6S,8aR)-2,6-Dihydroxy-2,5,5,8a-tetramethyl-decahydro-naphthalen-1-ylmethoxy)-chromen-2-one|7-[(2,6-Dihydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)methoxy]-2H-1-benzopyran-2-one|7-{[(2S,4aS,6S)-2,6-Dihydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]methoxy}-2H-1-benzopyran-2-one
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22498 g/mol |
| LogP | 4.1362 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.22498 |
| Monoisotopic Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 959.1425 |
Chemical Identifiers
| CAS Number | 54165-75-2 |
|---|---|
| SMILES | C[C@@]1(CC[C@@H]2C([C@H](CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C)O |
Product Overview
Samarcandin (CAS 54165-75-2), with molecular formula C24H32O5 and molecular weight 400.22498 g/mol. IUPAC: 7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one.