(1R,3R,4R,6R,7R,8S,9R,10R,13S,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol
PubChem CID: 11176108
Connections displayed (default: 10).
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| Topological Polar Surface Area | 121.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 648.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (1R,3R,4R,6R,7R,8S,9R,10R,13S,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C20H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HZWINBBXACEGLP-UMDSJNQESA-N |
| Fcsp3 | 0.9 |
| Logs | -3.25 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.0 |
| Compound Name | (1R,3R,4R,6R,7R,8S,9R,10R,13S,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 368.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6772140000000006 |
| Inchi | InChI=1S/C20H32O6/c1-9-7-19-8-12(21)20(26)14(13(22)16(24)17(20,2)3)18(4,25)11(19)6-5-10(9)15(19)23/h10-16,21-26H,1,5-8H2,2-4H3/t10-,11-,12+,13+,14-,15+,16-,18+,19+,20+/m0/s1 |
| Smiles | C[C@]1([C@@H]2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]4([C@H]1[C@H]([C@@H](C4(C)C)O)O)O)O)CC3=C)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Molle (Plant) Rel Props:Source_db:cmaup_ingredients