Methylenebis(aspidinol)
PubChem CID: 617027
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| Compound Synonyms | Methylenebis(aspidinol), 5377-72-0, 1-Butanone, 1,1'-(methylenebis(2,6-dihydroxy-4-methoxy-5-methyl-3,1-phenylene))bis-, Methylenebisaspidinol, methylene-bis-aspidinol, CHEMBL482041, DTXSID20202044, KSPJWSCWSGSJRH-UHFFFAOYSA-N, 1-[3-(3-Butyryl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-2,6-dihydroxy-4-methoxy-5-methylphenyl]-1-butanone # |
|---|---|
| Topological Polar Surface Area | 134.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | KSPJWSCWSGSJRH-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Heavy Atom Count | 33.0 |
| Compound Name | Methylenebis(aspidinol) |
| Exact Mass | 460.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 460.21 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 600.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 460.5 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[3-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]butan-1-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H32O8/c1-7-9-16(26)18-20(28)12(3)24(32-5)14(22(18)30)11-15-23(31)19(17(27)10-8-2)21(29)13(4)25(15)33-6/h28-31H,7-11H2,1-6H3 |
| Smiles | CCCC(=O)C1=C(C(=C(C(=C1O)C)OC)CC2=C(C(=C(C(=C2O)C(=O)CCC)O)C)OC)O |
| Xlogp | 5.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H32O8 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Pallens (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Pallens (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Neolitsea Pallens (Plant) Rel Props:Reference: