precursor

Showing entry for Phytofluene

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
MOLSDFPDBSMILESInChI

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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