precursor

Showing entry for Carotene-delta

Identification

PhytoHub ID
PHUB000467
Name
Carotene-delta
Synonyms
Not Available
CAS Number
Not Available
Average Mass
536.888
Monoisotopic Mass
536.438201803
Chemical Formula
C40H56
IUPAC Name
delta-carotene
InChI Key
WGIYGODPCLMGQH-GOXCNPTKSA-N
InChI Identifier
InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
SMILES
CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
3.39e-04 g/l
LogS (ALOGPS)
-6.20
LogP (ALOGPS)
9.50
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
13
Polar Surface Area
0.0
Refractivity
194.97550000000007
Polarizability
72.54588193169465
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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