(8E,12E,14E)-3,6,21-Tri(1-ethoxyethoxy)-7-hydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(C)OC1CCC(C)(OC(C)OCC)C(O)/C=C/C(C)C(/C(C)=C/C=C/C(C)CC2OC2C(C)C(CC)OC(C)OCC)OC(=O)C1- InChIKey
NOSSOUCSSDMZET-OHRYUNQISA-N- Molecular formula
- C40H70O10
- Average molar mass
- 711 g/mol
- Monoisotopic mass
- 710.49689843
Names & identifiers
- Preferred name
- (8E,12E,14E)-3,6,21-Tri(1-ethoxyethoxy)-7-hydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide
- IUPAC
- (9E)-4,7-bis(1-ethoxyethoxy)-12-[(2E,4E)-7-[3-[3-(1-ethoxyethoxy)pentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-8-hydroxy-7,11-dimethyl-1-oxacyclododec-9-en-2-one
Names & synonyms
SCHEMBL905623NOSSOUCSSDMZET-OHRYUNQISA-N(8E,12E,14E)-3,6,21-Tri(1-ethoxyethoxy)-7-hydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide
Database identifiers
- PubChem CID
- 21023947
Properties
Computed structural propertiesFilling in
- XLogP
- 7.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,060
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Related reactions
12 records
Compound notes
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