Identification

PhytoHub ID
PHUB000462
Name
Zeaxanthin (meso)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
568.886
Monoisotopic Mass
568.428031043
Chemical Formula
C40H56O2
IUPAC Name
(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
InChI Key
JKQXZKUSFCKOGQ-YOPUJPICSA-N
InChI Identifier
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+
SMILES
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
6.49e-04 g/l
LogS (ALOGPS)
-5.94
LogP (ALOGPS)
8.30
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
40.46
Refractivity
194.95080000000007
Polarizability
73.69307255340063
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.7887548611967236
pKa (strongest acidic)
18.907213404525137
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
CA000115MassBankEI-EBEB Spectrum - -, unspecifiedView Spectra

Food Sources

No food source information available

Metabolism

No metabolism information available

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