(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenal

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Basic information

CAS: 59057-70-4
Standard SMILES: CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O
InChIKey: XDVAYNOICRRSLG-ZVLLIQJTSA-N
Molecular formula: C30H40O
Average molar mass: 416.6 g/mol
Monoisotopic mass: 416.3079159

Overview

4,4'-diaponeurosporenal is an apo carotenoid triterpenoid that is 4,4'-diapolycopene in which one of the terminal methyl groups has been oxidised to the corresponding aldehyde. It is an apo carotenoid triterpenoid and an enal. It derives from a hydride of a 4,4'-diapolycopene.

Names & identifiers

Preferred name: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenal
IUPAC: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal

Names & synonyms

4,4'-Diaponeurosporen-4-al59057-70-4(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenalDTXSID7011112372,4,6,8,10,12,14,16,18,22-Tetracosadecaenal, 2,6,10,15,19,23-hexamethyl-, (all-E)-(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenalRefChem:905811DTXCID8015428514,4'-diaponeurosporenal4,4'-diaponeurosporen-1-alSCHEMBL2837986CHEBI:79065

Show more names

LMPR0106010040C19839Q271481312,6,10,15,19,23-hexamethyltetracosa-2E,4E,6E,8E,10E,12E,14E,16E,18E,22-decaenal

Database identifiers

CAS: 59057-70-4
PubChem CID: 6443564
DTXSID: DTXSID701111237
ChEBI: CHEBI:79065

Properties

Computed structural properties

XLogP: 10.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 12
Heavy atoms: 31
Formal charge: 0
Complexity: 852

Experimental & physicochemical properties

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C30 isoprenoids (triterpenes) [PR0106]

Related reactions

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Compound notes

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