4-epi-11-nor-Aristola-1(10),11-diene
PubChem CID: 637290
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| Compound Synonyms | 4-epi-11-nor-Aristola-1(10),11-diene, 1H-cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-7,7a-dimethyl-1-methylene-, (1aS,7R,7aS,7bR)-, InChI=1/C14H20/c1-9-5-4-6-11-7-8-12-10(2)13(12)14(9,11)3/h6,9,12-13H,2,4-5,7-8H2,1,3H3/t9-,12-,13+,14-/m1/s, rel-(1aR,7S,7aR,7bS)-7,7a-dimethyl-1-methylene-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[a]naphthalene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1aS,7R,7aS,7bR)-7,7a-dimethyl-1-methylidene-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C14H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DDBCGKCAUYNHJO-WBMYTEFPSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -4.599 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.755 |
| Compound Name | 4-epi-11-nor-Aristola-1(10),11-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 188.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2314467999999996 |
| Inchi | InChI=1S/C14H20/c1-9-5-4-6-11-7-8-12-10(2)13(12)14(9,11)3/h6,9,12-13H,2,4-5,7-8H2,1,3H3/t9-,12-,13+,14-/m1/s1 |
| Smiles | C[C@@H]1CCC=C2[C@@]1([C@@H]3[C@@H](C3=C)CC2)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bazzania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients