Identification

PhytoHub ID
PHUB000367
Name
Physalien
Synonyms
Not Available
CAS Number
Not Available
Average Mass
1045.716
Monoisotopic Mass
1044.887362215
Chemical Formula
C72H116O4
IUPAC Name
zeaxanthin dipalmitate
InChI Key
XACHQDDXHDTRLX-XLVVAOPESA-N
InChI Identifier
InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C1
Structure

Calculated Properties

Solubility (ALOGPS)
6.15e-05 g/l
LogS (ALOGPS)
-7.23
LogP (ALOGPS)
11.01
Hydrogen Acceptors
2
Hydrogen Donors
0
Rotatable Bond Count
42
Polar Surface Area
52.6
Refractivity
342.13360000000006
Polarizability
141.3440832557916
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.741231015513359
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
GroundcherryVegetables, Fruit vegetables PublicationsShow

Metabolism

No metabolism information available

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