Basic information
- CAS
10206-88-9- Standard SMILES
COC1C2Cc3cc4cc(O)c(C)c(O)c4c(O)c3CC2OC1(O)C(O)C(C)O- InChIKey
XVPNFYMPOWPYKS-UHFFFAOYSA-N- Molecular formula
- C21H26O8
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.16276778
Names & identifiers
- Preferred name
- Anthra[2,3-b]furan-2,7,9,10-tetrol, 2-(1,2-dihydroxypropyl)-2,3,3a,4,11,11a-hexahydro-3-methoxy-8-methyl-
- IUPAC
- 2-(1,2-dihydroxypropyl)-3-methoxy-8-methyl-3a,4,11,11a-tetrahydro-3H-naphtho[3,2-f][1]benzofuran-2,7,9,10-tetrol
Names & synonyms
DTXSID00111069010206-88-9Anthra[2,3-b]furan-2,7,9,10-tetrol, 2-(1,2-dihydroxypropyl)-2,3,3a,4,11,11a-hexahydro-3-methoxy-8-methyl-
Database identifiers
- CAS
10206-88-9- PubChem CID
- 165367641
- DTXSID
DTXSID001110690
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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