Trachylobane
PubChem CID: 521405
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| Compound Synonyms | Trachylobane, (-)-Trachylobane, Trachyloban, 6a,8-Methano-6aH-cyclopropa[b]phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, (4aR,6aS,7aR,8S,8aR,9aR,9bR)-, 6a,8-Methano-6aH-cyclopropa[b]phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, [4aR-(4a.alpha.,6a.beta.,7a.alpha.,8.beta.,8a.alpha.,9a.alpha.,9b.beta.)]-, 5,5,9,13-tetramethylpentacyclo(11.2.1.01,10.04,9.012,14)hexadecane, 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane, 6a,8-Methano-6aH-cyclopropa(b)phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, (4aR,6aS,7aR,8S,8aR,9aR,9bR)-, 5282-35-9, 6a,8-Methano-6aH-cyclopropa(b)phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, (4aR-(4aalpha,6abeta,7aalpha,8beta,8aalpha,9aalpha,9bbeta))- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane |
| Prediction Hob | 1.0 |
| Xlogp | 7.1 |
| Molecular Formula | C20H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JTJZAWZRQPNBLR-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.705 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.215 |
| Compound Name | Trachylobane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 272.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.9834512 |
| Inchi | InChI=1S/C20H32/c1-17(2)7-5-8-18(3)15(17)6-9-20-11-14-13(10-16(18)20)19(14,4)12-20/h13-16H,5-12H2,1-4H3 |
| Smiles | CC1(CCCC2(C1CCC34C2CC5C(C3)C5(C4)C)C)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaecyparis Pisifera (Plant) Rel Props:Source_db:cmaup_ingredients