2-[(2E,6E,10S,11S)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl]-6-methylcyclohexa-2,5-diene-1,4-dione

HCID 178973449

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Basic information

Standard SMILES: CC(C)=CCC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O
InChIKey: MIUFIRHWLINGPK-UNARRUTRSA-N
Molecular formula: C27H40O4
Average molar mass: 428.6 g/mol
Monoisotopic mass: 428.29265976

Overview

2-[(2E,6E,10S,11S)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl]-6-methylcyclohexa-2,5-diene-1,4-dione has been reported in Cystoseira amentacea var. stricta with data available.

Names & identifiers

Preferred name: 2-[(2E,6E,10S,11S)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl]-6-methylcyclohexa-2,5-diene-1,4-dione
IUPAC: 2-[(2E,6E,10S,11S)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl]-6-methylcyclohexa-2,5-diene-1,4-dione

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 12
Heavy atoms: 31
Formal charge: 0
Complexity: 803

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Compound notes

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