Identification

PhytoHub ID
PHUB000175
Name
Maslinic acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
472.71
Monoisotopic Mass
472.355260026
Chemical Formula
C30H48O4
IUPAC Name
maslinic acid
InChI Key
MDZKJHQSJHYOHJ-LLICELPBSA-N
InChI Identifier
InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
SMILES
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
4.04e-03 g/l
LogS (ALOGPS)
-5.07
LogP (ALOGPS)
6.06
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
77.75999999999999
Refractivity
134.98600000000002
Polarizability
55.78234483764266
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.159816461820119
pKa (strongest acidic)
4.744259192011683
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Taxonomy

Family
Terpenoids
Class
Triterpenoids
Sub-class
Miscellaneous triterpenoids

Spectra

No spectra information available

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow

Metabolism

No metabolism information available

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