Identification

PhytoHub ID
PHUB000458
Name
Phytofluene
Synonyms
Not Available
CAS Number
Not Available
Average Mass
542.9203
Monoisotopic Mass
542.485151984
Chemical Formula
C40H62
IUPAC Name
phytofluene
InChI Key
OVSVTCFNLSGAMM-DGFSHVNOSA-N
InChI Identifier
InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.55e-04 g/l
LogS (ALOGPS)
-6.19
LogP (ALOGPS)
9.56
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
19
Polar Surface Area
0
Refractivity
194.45620000000008
Polarizability
73.37822734875846
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ApricotFruit, Drupes PublicationsShow

Metabolism

No metabolism information available

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