5-Methoxydehydropodophyllotoxin
Basic information
- CAS
151703-06-9- Standard SMILES
COc1cc(-c2c3c(c(O)c4c(OC)c5c(cc24)OCO5)COC3=O)cc(OC)c1OC- InChIKey
OJSCBCNNQXLIJG-UHFFFAOYSA-N- Molecular formula
- C23H20O9
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 440.11073221
Overview
5-Methoxydehydropodophyllotoxin has been reported in Condea verticillata with data available.
Names & identifiers
- Preferred name
- 5-Methoxydehydropodophyllotoxin
- IUPAC
- 5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
- English name
- 5-methoxydehydropodophyllotoxin
- Molecular formula
- C23H20O9
- Molecular weight
- 440.4
Names & synonyms
5-Methoxydehydropodophyllotoxin5-Mdh-podophyllotoxin151703-06-9DTXSID20164855RefChem:913512DTXCID70873465-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-oneCHEMBL4590539-Hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(7,3-d)-1,3-dioxol-6(8H)-one9-Hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-oneFuro(3',4':6,7)naphtho(7,3-d)-1,3-dioxol-6(8H)-one, 9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one, 9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
151703-06-9- PubChem CID
- 133997
- DTXSID
DTXSID20164855- ChEMBL
CHEMBL459053
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 674
Physicochemical properties
- Boiling point
- 655.6 · 655.6±55.0 °C(Predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- pka
- 7.38 · 7.38±0.20(Predicted)
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Related reactions
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Compound notes
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