[(1R,2S,5R,6R,9S,10S,11R,13R)-9-Methyl-10-[(E)-2-methylbut-2-enoyl]oxy-14-methylidene-4-oxo-3,12-dioxatetracyclo[7.5.0.02,6.011,13]tetradecan-5-yl] (Z)-2-methylbut-2-enoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL251089 | |
| PubChem: | 44445507 | |
| IUPAC: | [(1R,2S,5R,6R,9S,10S,11R,13R)-9-methyl-10-[(E)-2-methylbut-2-enoyl]oxy-14-methylidene-4-oxo-3,12-dioxatetracyclo[7.5.0.02,6.011,13]tetradecan-5-yl] (Z)-2-methylbut-2-enoate | |
| Standard InChI: | InChI=1S/C24H30O7/c1-7-11(3)21(25)30-18-14-9-10-24(6)15(17(14)29-23(18)27)13(5)16-19(28-16)20(24)31-22(26)12(4)8-2/h7-8,14-20H,5,9-10H2,1-4,6H3/b11-7-,12-8+/t14-,15+,16-,17-,18-,19-,20-,24+/m1/s1 | |
| Standard InChI Key: | ORFSKFGJTZHRTC-YGKZLXDHSA-N | |
| SMILES: | C/C=C(C(=O)O[C@H]1C(=O)O[C@@H]2[C@H]1CC[C@]1([C@H]2C(=C)[C@@H]2[C@H]([C@H]1OC(=O)/C(=C/C)/C)O2)C)/C | |
Molecular propeties
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| AlogP: | 3.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 430.2 | |
| Topological polar surface area: | 91.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.625 | |
| Number of carbons: | 24 | |