ent-15-Oxo-kaur-16-en-19-oic acid methyl ester
methyl (1R,4S,5R,9S,10S,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Also Known As: Diterpene deriv.|ent-15-Oxo-kaur-16-en-19-oic acid methyl ester|Methyl 15-oxokaur-16-en-18-oate|Kaur-16-en-18-oic acid, 15-oxo-, methyl ester, (4a)-|methyl dimethyl-methylene-oxo-[?]carboxylate|15-Oxokaur-16-en-18-oic acid methyl ester|Kaur-16-en-18-oic acid,15-oxo-,methyl ester,(4a)|Methyl 15-oxo-5beta,8alpha,9beta,10alpha,13alpha-kaur-16-en-18-oate|methyl (1R,4S,5R,9S,10S,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.21948 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.21948 |
| Monoisotopic Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 22376-47-2 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4=O)(C)C(=O)OC |
| InChIKey | VGIYQTCUAQAPCL-KLSAVCNVSA-N |
Product Overview
ent-15-Oxo-kaur-16-en-19-oic acid methyl ester (CAS 22376-47-2), with molecular formula C21H30O3 and molecular weight 330.21948 g/mol. IUPAC: methyl (1R,4S,5R,9S,10S,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate.
ent-15-Oxo-kaur-16-en-19-oic acid methyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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