Vilangine
Basic information
- CAS
4370-68-7- Standard SMILES
CCCCCCCCCCCC1=C(O)C(=O)C(CC2=C(O)C(=O)C(CCCCCCCCCCC)=C(O)C2=O)=C(O)C1=O- InChIKey
SSBANIVTGNXXSJ-UHFFFAOYSA-N- Molecular formula
- C35H52O8
- Average molar mass
- 600.8 g/mol
- Monoisotopic mass
- 600.36621861
Overview
Vilangin has been reported in Embelia ribes with data available.
Names & identifiers
- Preferred name
- Vilangine
- IUPAC
- 2-[(2,5-dihydroxy-3,6-dioxo-4-undecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione
- English name
- 2,2'-Methylenebis(3,6-dihydroxy-5-undecyl-2,5-cyclohexadiene-1,4-dione)
- Molecular weight
- 0
Names & synonyms
VILANGINVilangine4370-68-7DN22FU5SDN2-[(2,5-dihydroxy-3,6-dioxo-4-undecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dioneNSC-874133-((3,6-Dihydroxy-2,5-dioxo-4-undecylcyclohexa-1(6),3-dienyl)methyl)-2,5-dihydroxy-6-undecylcyclohexa-2,5-diene-1,4-dionesDTXSID101959112-((2,5-dihydroxy-3,6-dioxo-4-undecylcyclohexa-1,4-dien-1-yl)methyl)-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione3-[(3,6-Dihydroxy-2,5-dioxo-4-undecylcyclohexa-1(6),3-dienyl)methyl]-2,5-dihydroxy-6-undecylcyclohexa-2,5-diene-1,4-dionesRefChem:934028DTXCID50118402
Show more names
NSC87413UNII-DN22FU5SDNNSC 874132,2'-Methylenebis(3,6-dihydroxy-5-undecyl-2,5-cyclohexadiene-1,4-dione)CHEMBL19952222,2'-Methylenebis(3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione)2-[(2,5-dihydroxy-3,6-dioxo-4-undecyl-cyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-undecyl-1,4-benzoquinone
Database identifiers
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 22
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- FDA UNII
- 22 FU5SDN · DN22FU5SDN
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Related reactions
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Compound notes
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