methyl rel-(9xi)-3,11-dioxo-5xi-olean-12-en-30-oate
Chemical Structure Depiction of
methyl rel-(9xi)-3,11-dioxo-5xi-olean-12-en-30-oate
methyl rel-(9xi)-3,11-dioxo-5xi-olean-12-en-30-oate
Compound characteristics
| Compound ID: | N064-0037 |
| Compound Name: | methyl rel-(9xi)-3,11-dioxo-5xi-olean-12-en-30-oate |
| Molecular Weight: | 482.7 |
| Molecular Formula: | C31 H46 O4 |
| Smiles: | [H][C@]12C[C@](C)(CC[C@]2(C)CC[C@]2(C)C1=CC(C1[C@@]3(C)CCC([C@@](C)(C)C3CC[C@]12C)=O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.103 |
| logD: | 6.103 |
| logSw: | -5.481 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.783 |
| InChI Key: | LHVOTBCQBLBMAB-ZRLKTFCTSA-N |