Identification

PhytoHub ID
PHUB000349
Name
Carotene-alpha
Synonyms
  • Carotene ((6'R)-beta,epsilon-)
CAS Number
432-70-2
Average Mass
536.8726
Monoisotopic Mass
536.438201792
Chemical Formula
C40H56
IUPAC Name
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene
InChI Key
ANVAOWXLWRTKGA-NTXLUARGSA-N
InChI Identifier
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1
SMILES
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)/C=C/C=C(\C)/C=C/[C@H]1C(C)=CCCC1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.07e-04 g/l
LogS (ALOGPS)
-6.24
LogP (ALOGPS)
9.79
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
10
Polar Surface Area
0.0
Refractivity
191.8784
Polarizability
71.27306335459193
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

Record IDSourceDescriptionView
CA000116MassBankEI-EBEB Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
BananaFruit, Tropical fruits PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
BroccoliVegetables, Cabbages PublicationsShow
CarrotVegetables, Root vegetables PublicationsShow
Common peaPulses and beans PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow

Metabolism

No metabolism information available

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