Anhydropodophyllol
Basic information
- CAS
6320-12-3- Standard SMILES
COc1cc(C2c3cc4c(cc3C(O)C3COCC23)OCO4)cc(OC)c1OC- InChIKey
FWDFUPDYYVFPPF-UHFFFAOYSA-N- Molecular formula
- C22H24O7
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.1522031
Names & identifiers
- Preferred name
- Anhydropodophyllol
- IUPAC
- 9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-ol
Names & synonyms
Anhydropodophyllol5,5a,6,8,8a,9-Hexahydro-9-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-ol6320-12-3NSC 31776Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-ol, 5,5a,6,8,8a,9-hexahydro-9-(3,4,5-trimethoxyphenyl)-RefChem:112790MLS002639417CHEMBL1883880DTXSID20979209HMS3079B07NSC31776NSC-31776
Show more names
SMR0015488619-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-ol
Database identifiers
- CAS
6320-12-3- PubChem CID
- 97722
- DTXSID
DTXSID20979209- ChEMBL
CHEMBL1883880、CHEMBL489538
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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