Compound C42H58O4

3-[2,3-dihydroxy-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)phenyl]-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol

CAS: 140872-94-2

Molecular Formula	`C42H58O4`
Molecular Weight	626.9 g/mol
LogP	13.7
Topological Polar Surface Area	80.9 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	17
Exact Mass	626.43353
Heavy Atoms	46
Complexity	1000.0

Chemical Identifiers

CAS Number	140872-94-2
SMILES	`CC(=CCCC(=CCCC(C)(C=C)C1=CC(=C(C(=C1)O)O)C2=C(C(=CC(=C2)C(C)(CCC=C(C)CCC=C(C)C)C=C)O)O)C)C`
InChIKey	`FBBLBOYXADGJGC-UHFFFAOYSA-N`

📖 Product Overview

Compound C42H58O4 (CAS: 140872-94-2) is a chemical compound with molecular formula C42H58O4 and molecular weight 626.9 g/mol. Its IUPAC systematic name is 3-[2,3-dihydroxy-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)phenyl]-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol. LogP 13.7 Topological Polar Surface Area 80.9 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 4 Rotatable Bonds 17 Exact Mass 626.43353 Heavy Atoms 46 Complexity 1000.0 InChI Key: FBBLBOYXADGJGC-UHFFFAOYSA-N. SMILES: CC(=CCCC(=CCCC(C)(C=C)C1=CC(=C(C(=C1)O)O)C2=C(C(=CC(=C2)C(C)(CCC=C(C)CCC=C(C)C)C=C)O)O)C)C.

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