Identification

PhytoHub ID
PHUB000174
Name
lupeol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
426.729
Monoisotopic Mass
426.38616623
Chemical Formula
C30H50O
IUPAC Name
Not Available
InChI Key
MQYXUWHLBZFQQO-KIIHVYTKSA-N
InChI Identifier
InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21?,22?,23?,24-,25?,27+,28-,29+,30+/m0/s1
SMILES
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
130.90829999999997
Polarizability
53.78003505695064
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.8351218351362649
pKa (strongest acidic)
19.48943339017772
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Taxonomy

Family
Terpenoids
Class
Triterpenoids
Sub-class
Miscellaneous triterpenoids

Spectra

Record IDSourceDescriptionView
JP002091MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

Metabolism

No metabolism information available

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