6-Methoxypodophyllotoxin
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Basic information
- CAS
128443-52-7- Standard SMILES
COc1cc([C@@H]2c3cc4c(c(OC)c3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC- InChIKey
PDQAOYGENRRPQO-UXDKQJBESA-N- Molecular formula
- C23H24O9
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.14203234
Overview
5-Methoxypodophyllotoxin is a furonaphthodioxole.
Names & identifiers
- Preferred name
- 6-Methoxypodophyllotoxin
- IUPAC
- (5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
- English name
- 5-methoxypodophyllotoxin
- Molecular formula
- C23H24O9
- Molecular weight
- 444.43
Names & synonyms
5-Methoxypodophyllotoxin6-methoxypodophyllotoxin128443-52-7DTXSID00155903(5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-oneFuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))-(5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-(2)benzofuro(6,5-f)(1,3)benzodioxol-8-oneRefChem:914026DTXCID8078394CHEMBL292945SCHEMBL29998448CHEBI:188507
Show more names
(5R)-5,5aα,8aβ,9-Tetrahydro-9β-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-oneFuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9R)-
(5R-(5alpha,5abeta,8aalpha,9alpha))-5,8,8a,9-Tetrahydro-9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-oneQ63398578(5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzouro[6,5-][1,3]benzodioxol-8-one(5R,5aR,8aR,9R)-9-Hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- 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
- 605 · 605.0±55.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 12.99 · 12.99±0.40(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 5-Methoxypodophyllotoxin is a furonaphthodioxole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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