(1R,6R,11R,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadecan-6-ol
PubChem CID: 24893884
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,6R,11R,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadecan-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C20H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIMVZXNOGGKCPZ-RFGBOTRGSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.125 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.332 |
| Compound Name | (1R,6R,11R,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadecan-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3233388 |
| Inchi | InChI=1S/C20H32O2/c1-17-7-3-8-20(13-22-12-17)15(17)6-9-19-10-14(4-5-16(19)20)18(2,21)11-19/h14-16,21H,3-13H2,1-2H3/t14?,15-,16?,17+,18-,19?,20+/m1/s1 |
| Smiles | C[C@@]12CCC[C@@]3([C@@H]1CCC45C3CCC(C4)[C@](C5)(C)O)COC2 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tripterygium Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients