7,8,19,20-Tetrahydro-15,18-etheno-2,6:9,13-dimetheno-1,14-benzodioxacyclodocosin-11,12,24-triol
Basic information
- CAS
88418-46-6- Standard SMILES
Oc1cc2cc(c1O)OC1C=CC(C=C1)CCc1cccc(O)c1Oc1cccc(c1)/C=C\2- InChIKey
AZIYOMYZWLGWRM-FPLPWBNLSA-N- Molecular formula
- C28H24O5
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.16237386
Names & identifiers
- Preferred name
- 7,8,19,20-Tetrahydro-15,18-etheno-2,6:9,13-dimetheno-1,14-benzodioxacyclodocosin-11,12,24-triol
- IUPAC
- (8Z)-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-3(30),4,6,8,10(29),11,13,16(21),17,19,25,27-dodecaene-4,5,17-triol
Names & synonyms
7,8,19,20-Tetrahydro-15,18-etheno-2,6:9,13-dimetheno-1,14-benzodioxacyclodocosin-11,12,24-triol(8Z)-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-3(30),4,6,8,10(29),11,13,16(21),17,19,25,27-dodecaene-4,5,17-triol15,18-Etheno-2,6:9,13-dimetheno-1,14-benzodioxacyclodocosin-11,12,24-triol, 7,8,19,20-tetrahydro-
Database identifiers
- CAS
88418-46-6- PubChem CID
- 6439028
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 718
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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