METHYL ABIETATE
methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Also Known As: METHYL ABIETATE|Abitate de mthyle|Methyl abietate, technical|Abietic acid, methyl ester|AC1L1LI5|Methyl 7,13-abietadien-18-oate|EINECS 204-832-7|BRN 2702228|AI3-01745|J1.324.517G|4-09-00-02176 (Beilstein Handbook Reference)|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|(1R)-1beta,4abeta-Dimethyl-7-isopropyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester|(1R,4AR,4bR,10aR)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a- decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1?,4ass,4b?,10a?)]-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-|methyl (1R,4aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate|methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate|methyl (1R,4aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24023 g/mol |
| LogP | 5.29 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 556.2 |
Chemical Identifiers
| CAS Number | 127-25-3 |
|---|---|
| SMILES | CC(C)C1=CC2=CCC3[C@@](C2CC1)(CCC[C@@]3(C)C(=O)OC)C |
Product Overview
METHYL ABIETATE (CAS 127-25-3), with molecular formula C21H32O2 and molecular weight 316.24023 g/mol. IUPAC: methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate.
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