precursor

Showing entry for Maslinic acid

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][[email protected]@]12CC(C)(C)CC[[email protected]@]1(CC[[email protected]]1(C)C2=CC[[email protected]]2([H])[[email protected]@]3(C)C[[email protected]@H](O)[[email protected]](O)C(C)(C)[[email protected]]3([H])CC[[email protected]@]12C)C(O)=O
Structure
MOLSDFPDBSMILESInChI

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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