Identification

PhytoHub ID
PHUB000464
Name
carotenal (beta-apo-8')
Synonyms
Not Available
CAS Number
Not Available
Average Mass
416.649
Monoisotopic Mass
416.307915908
Chemical Formula
C30H40O
IUPAC Name
apocarotenal
InChI Key
DFMMVLFMMAQXHZ-DOKBYWHISA-N
InChI Identifier
InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+
SMILES
C\C(C=O)=C/C=C/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)
8.33e-04 g/l
LogS (ALOGPS)
-5.70
LogP (ALOGPS)
7.97
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
9
Polar Surface Area
17.07
Refractivity
146.77890000000005
Polarizability
54.06391305763613
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.168847587359038
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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