Odoratrin
[6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] (2E,4E,6E)-deca-2,4,6-trienoate
Also Known As: Odoratrin|Daphne factor P2|1-Benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloride|6H-2,8b-Epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one,dodecahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-10-(((2E,4E,6E)-1-oxo-2,4,6-decatrienyl)oxy)-2-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,7S,8aR,8bR,9R,10R,10aS)-
| Molecular Formula | C37H44O10 |
|---|---|
| Molecular Weight | 648.29346 g/mol |
| LogP | 3.4032 |
| Topological Polar Surface Area | 144.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 648.29346 |
| Monoisotopic Mass | 648.29346 |
| Heavy Atoms | 47 |
| Complexity | 1552.801 |
Chemical Identifiers
| CAS Number | 71252-72-7 |
|---|---|
| SMILES | CCC/C=C/C=C/C=C/C(=O)OC1C(C23C4CC(C(=O)C4(C(C5(C(C2C6C1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C |
Product Overview
Odoratrin (CAS 71252-72-7), with molecular formula C37H44O10 and molecular weight 648.29346 g/mol. IUPAC: [6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] (2E,4E,6E)-deca-2,4,6-trienoate.