Identification

PhytoHub ID
PHUB000459
Name
Neurosporene
Synonyms
Not Available
CAS Number
Not Available
Average Mass
538.8885
Monoisotopic Mass
538.453851856
Chemical Formula
C40H58
IUPAC Name
neurosporene
InChI Key
ATCICVFRSJQYDV-XILUKMICSA-N
InChI Identifier
InChI=1S/C40H58/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/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.66e-04 g/l
LogS (ALOGPS)
-6.17
LogP (ALOGPS)
9.28
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
17
Polar Surface Area
0
Refractivity
196.6894
Polarizability
74.17194331874046
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

No food source information available

Metabolism

No metabolism information available

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