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Basic information
- Standard SMILES
COC1C(OC(=O)C=CC=CC=CC=CC(=O)O)CCC2(CO2)C1C1(C)OC1CC=C(C)C- InChIKey
NGGMYCMLYOUNGM-UHFFFAOYSA-N- Molecular formula
- C26H34O7
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.23045342
Names & identifiers
- Preferred name
- 10-((5-Methoxy-4-(2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octan-6-yl)oxy)-10-oxodeca-2,4,6,8-tetraenoic acid
- IUPAC
- 10-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
Names & synonyms
DTXSID5086029210-({5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl}oxy)-10-oxodeca-2,4,6,8-tetraenoic acid10-((5-Methoxy-4-(2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octan-6-yl)oxy)-10-oxodeca-2,4,6,8-tetraenoic acidRefChem:1057191DTXCID90810059NSC9168SCHEMBL6953276(2E,4E,6E,8E)-10-(((3R,4S,5S,6R)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-yl)oxy)-10-oxodeca-2,4,6,8-tetraenoAKOS03024182210-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acidNCI60_042025(2E,4E,6E,8E)-Mono[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl] 2,4,6,8-decatetraenedioic acid ester
Database identifiers
- PubChem CID
- 3430
- DTXSID
DTXSID50860292
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 879
Related reactions
0 records
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Compound notes
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