delta-Maslinic acid methyl ester
PubChem CID: 76025738
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| Compound Synonyms | delta-Maslinic acid methyl ester |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | WUGPMNNYJCMJOJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | delta-Maslinic acid methyl ester |
| Heavy Atom Count | 35.0 |
| Compound Name | delta-Maslinic acid methyl ester |
| Description | Delta-maslinic acid methyl ester, also known as δ-maslinate methyl ester, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Delta-maslinic acid methyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delta-maslinic acid methyl ester can be found in olive, which makes delta-maslinic acid methyl ester a potential biomarker for the consumption of this food product. |
| Exact Mass | 486.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 486.371 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 948.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 486.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14-tetradecahydropicene-4a-carboxylate |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h21-24,32-33H,9-18H2,1-8H3 |
| Smiles | CC1(CCC2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C)C(=O)OC)C |
| Xlogp | 6.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C31H50O4 |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all