Macrophorin A
(1R,5R,6R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Also Known As: Macrophorin A|2-Deoxy-2-fluoroglucopyranosyl fluoride|7-Oxabicyclo(4.1.0)hept-3-en-2-one, 1-(((1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)methyl)-5-hydroxy-4-(hydroxymethyl)-, (1R,5R,6R)-|(1R,5R,6R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one|(1R,2R,6R)-6-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one|(1R,5R,6R)-1-(((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl)-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo(4.1.0)hept-3-en-2-one|(1R,5R,6R)-1-{[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]methyl}-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one|(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-{[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]methyl}-7-oxabicyclo[4.1.0]hept-3-en-2-one|[1R,6R,(+)]-1alpha-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalene-1beta-yl]methyl]-5beta-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2-one|1-((5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl)-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo(4.1.0)hept-3-en-2-one|1-[(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one|5-Hydroxy-4-(hydroxymethyl)-1-[(5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl)methyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23007 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.23007 |
| Monoisotopic Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 85754-70-7 |
|---|---|
| SMILES | C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C[C@]34[C@H](O3)[C@@H](C(=CC4=O)CO)O)(C)C |
| InChIKey | OOIYDCZXWGFDDL-VKUFQHAMSA-N |
Product Overview
Macrophorin A (CAS 85754-70-7), with molecular formula C22H32O4 and molecular weight 360.23007 g/mol. IUPAC: (1R,5R,6R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one.