(1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol
PubChem CID: 15381690
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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 | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C20H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NNCAOPKALYJMLU-OIGVQNGMSA-N |
| Fcsp3 | 0.9 |
| Logs | -4.456 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.811 |
| Compound Name | (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3044388 |
| Inchi | InChI=1S/C20H32O2/c1-18(2)9-5-10-19(3)14-8-11-20(4)16(21)12-22-17(20)13(14)6-7-15(18)19/h15-17,21H,5-12H2,1-4H3/t15-,16-,17+,19+,20-/m0/s1 |
| Smiles | C[C@]12CCCC([C@@H]1CCC3=C2CC[C@@]4([C@@H]3OC[C@@H]4O)C)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Flavidus (Plant) Rel Props:Source_db:cmaup_ingredients