Maslinic acid
Maslinic acid Structure
Systematic / IUPAC Name: (2α,3β)-2,3-Dihydroxyolean-12-en-28-oic acid
ID: Reference6133
Other Names:
Masilinic acid;
Maslinicacid;
(2α,3β)-2,3-Dihydroxy-olean-12-en-28-oate;
(2α,3β)-2,3-Dihydroxy-olean-12-en-28-oic acid;
(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
; more
Formula: C30H48O4
Class: Endogenous Metabolites
Spectral Data
Maslinic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 176 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/1/2016 9:11:55 AM |
Identificators
| InChI | 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 |
| InChI Key | MDZKJHQSJHYOHJ-LLICELPBSA-N |
| Canonical SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C |
| CAS | 4373415 |
| Splash | |
| Other Names |
Masilinic acid; Maslinicacid; (2α,3β)-2,3-Dihydroxy-olean-12-en-28-oate; (2α,3β)-2,3-Dihydroxy-olean-12-en-28-oic acid; (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid; (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; 2α,3β-Dihydroxyolean-12-en-28-oic acid; 2α-Hydroxyoleanolic acid; Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2α,3β)-; Crategolic acid |
In Other Databases
| ChEMBL | CHEMBL201515 |
| Wikipedia | Maslinic acid |
| HMDb | HMDB02392 |
| ChEBI | CHEBI:66682 |
| KEGG | C16939 |
| ChemSpider | 66312 |
| PubChem | 73659 |
| ChemIDPlus | 004373415 |