Identification

PhytoHub ID
PHUB000355
Name
Cryptoxanthin-alpha
Synonyms
Not Available
CAS Number
Not Available
Average Mass
552.887
Monoisotopic Mass
552.433116423
Chemical Formula
C40H56O
IUPAC Name
(1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol
InChI Key
ORAKUVXRZWMARG-XBBNTEQGSA-N
InChI Identifier
InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1
SMILES
C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
5.14e-04 g/l
LogS (ALOGPS)
-6.03
LogP (ALOGPS)
9.10
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
10
Polar Surface Area
20.23
Refractivity
193.39390000000006
Polarizability
72.64500978007992
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3915650785380587
pKa (strongest acidic)
18.21727233987641
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ApricotFruit, Drupes PublicationsShow
AvocadoVegetables, Fruit vegetables PublicationsShow
CornCereals and cereal products PublicationsShow
GrapefruitFruit, Citrus PublicationsShow

Metabolism

No metabolism information available

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