Basic information
- CAS
41451-68-7- Standard SMILES
COC1C2=CC3=C/C4C(=O)C(=O)C(=O)C(=O)C4/C=C/C=C\3C(OC(C)=O)C2C(OC)C1OC- Molecular formula
- C24H24O9
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.14203234
Names & identifiers
- Preferred name
- Benzo(3,4)furo(3',4':6,7)cycloocta(1,2-f)(1,3)benzodioxol-3(1H)-one, 3a,4,14,14a-tetrahydro-14-(acetyloxy)-6,7,8-trimethoxy-, stereoisomer
- IUPAC
- [(1Z,9Z,11E)-15,16,17-trimethoxy-4,5,6,7-tetraoxo-13-tetracyclo[10.7.0.03,8.014,18]nonadeca-1,9,11,18-tetraenyl] acetate
- English name
- steganacin
- Molecular formula
- C24H24O9
- Molecular weight
- 456.44
Names & synonyms
Benzo(3,4)furo(3',4':6,7)cycloocta(1,2-f)(1,3)benzodioxol-3(1H)-one, 3a,4,14,14a-tetrahydro-14-(acetyloxy)-6,7,8-trimethoxy-, stereoisomersteganacin(+/-)-steganacine(-)-Episteganacin(3aR)-14α-Acetyloxy-3aβ,4,14,14aα-tetrahydro-6,7,8-trimethoxybenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-oneBenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-one, 14-(acetyloxy)-3a,4,14,14a-tetrahydro-6,7,8-trimethoxy-, (3aR,8aR,14R,14aR)-
Database identifiers
- CAS
41451-68-7- PubChem CID
- 6441002
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Boiling point
- 646.9 · 646.9±55.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Steganacin is a lactone and a lignan.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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