Identification

PhytoHub ID
PHUB000194
Name
Uvaol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
442.728
Monoisotopic Mass
442.38108085
Chemical Formula
C30H50O2
IUPAC Name
uvaol
InChI Key
XUARCIYIVXVTAE-ZAPOICBTSA-N
InChI Identifier
InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
SMILES
[H]OC([H])([H])[C@]12C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])C1=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H]
Structure

Calculated Properties

Solubility (ALOGPS)
2.72e-04 g/l
LogS (ALOGPS)
-6.21
LogP (ALOGPS)
6.13
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
133.75549999999998
Polarizability
54.67950109012891
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.6357052290198816
pKa (strongest acidic)
18.953297110466607
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Taxonomy

Family
Terpenoids
Class
Triterpenoids
Sub-class
Miscellaneous triterpenoids

Spectra

No spectra information available

Food Sources

NameGroup
Olive oilFats and oils PublicationsShow

Metabolism

No metabolism information available

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