(1S,2S,4R,7S,8S,11S,12R)-1,4,11-trimethyl-7-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.02,11.04,8]pentadecane
PubChem CID: 162853989
Connections displayed (default: 10).
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| Topological Polar Surface Area | 9.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,2S,4R,7S,8S,11S,12R)-1,4,11-trimethyl-7-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.02,11.04,8]pentadecane |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C20H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MTRVTLFGEXPTKZ-SCDLFQHWSA-N |
| Fcsp3 | 0.9 |
| Logs | -5.281 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.504 |
| Compound Name | (1S,2S,4R,7S,8S,11S,12R)-1,4,11-trimethyl-7-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.02,11.04,8]pentadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 288.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.266945000000001 |
| Inchi | InChI=1S/C20H32O/c1-13(2)14-6-9-18(3)12-16-19(4,10-7-15(14)18)17-8-11-20(16,5)21-17/h14-17H,1,6-12H2,2-5H3/t14-,15+,16+,17-,18-,19+,20+/m1/s1 |
| Smiles | CC(=C)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@H]4CC[C@@]([C@H]3C2)(O4)C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Densiflorum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygonatum Kingianum (Plant) Rel Props:Source_db:cmaup_ingredients