Methyl vinhaticoate
methyl (4aS,6aS,11aS)-8,9,11b-trimethyl-6a,11a-dihydro-4aH-naphtho[2,1-f][1]benzofuran-4-carboxylate
Also Known As: Methyl vinhaticoate|Phosphoric acid, monooctadecyl ester, zinc salt (1:1)|Methyl 1,2,3,4abeta,5,6,6aalpha,7,11,11abeta,11b-dodecahydro-4alpha,7beta,11balpha-trimethylphenanthro(3,2-b)furan-4-carboxylate|Phenanthro(3,2-b)furan-4-carboxylic acid, 1,2,3,4abeta,5,6,6aalpha,7,11,11abeta,11b-dodecahydro-4alpha,7beta,11balpha-trimethyl-, methyl ester|Methyl 8,9,11b-trimethyl-4a,6a,11a,11b-tetrahydrophenanthro[3,2-b]furan-4-carboxylate|Methyl (4aS,6aS,11aS)-8,9,11b-trimethyl-4a,6a,11a,11b-tetrahydrophenanthro[3,2-b]furan-4-carboxylate|methyl (4aS,6aS,11aS)-8,9,11b-trimethyl-6a,11a-dihydro-4aH-naphtho[2,1-f][1]benzofuran-4-carboxylate|Phenanthro[3,2-b]furan-4-carboxylic acid, 1,2,3,4,4a.beta.,5,6,6a.alpha.,7,11,11a.beta.,11b-dodecahydro-4.alpha.,7.beta.,11b.alpha.-trimethyl-, methyl ester
| Molecular Formula | C21H22O3 |
|---|---|
| Molecular Weight | 322.1569 g/mol |
| LogP | 2.56494 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.1569 |
| Monoisotopic Mass | 322.1569 |
| Heavy Atoms | 24 |
| Complexity | 925.02057 |
Chemical Identifiers
| CAS Number | 4614-52-2 |
|---|---|
| SMILES | CC1=C(OC2=C[C@@H]3[C@@H](C=C[C@H]4C3(C=CC=C4C(=O)OC)C)C=C12)C |
Product Overview
Methyl vinhaticoate (CAS 4614-52-2), with molecular formula C21H22O3 and molecular weight 322.1569 g/mol. IUPAC: methyl (4aS,6aS,11aS)-8,9,11b-trimethyl-6a,11a-dihydro-4aH-naphtho[2,1-f][1]benzofuran-4-carboxylate.