Neoambrosin
PubChem CID: 11128594
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| Compound Synonyms | Neoambrosin, Anhydrocoronopilin, Dehydrocoronopilin, Coronopilin, anhydro-, Coronopilin, dehydro-, 18446-70-3, DTXSID10171578, (3aS,6S,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione, (3aS,6S,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,8,9b-hexahydroazuleno(8,7-b)furan-2,9-dione, CHEMBL2286471, DTXCID6094069 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | ALDYHLYMNPPSIB-XJFVKYJOSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Compound Name | Neoambrosin |
| Exact Mass | 246.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 246.3 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3aS,6S,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6,8,10,13H,2,4-5,7H2,1,3H3/t8-,10-,13+,15-/m0/s1 |
| Smiles | C[C@H]1CC[C@@H]2[C@H]([C@]3(C1=CCC3=O)C)OC(=O)C2=C |
| Xlogp | 2.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H18O3 |
- 1. Outgoing r'ship
FOUND_INto/from Abrus Fruticulosus (Plant) Rel Props:Source_db:npass_chem_all