Asiatic acid
Asiatic acid Structure
Systematic / IUPAC Name: (2α,3β)-2,3,23-Trihydroxyurs-12-en-28-oic acid
ID: Reference7404
Other Names:
Dammarolic acid;
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-Dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid;
(1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-Dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid;
2,3,23-Trihydroxyurs-12-en-28-oic acid;
Urs-12en-28-oic acid, 2,3,23-trihydroxy-, (2α, 3β, 4α)-
Formula: C30H48O5
Spectral Data
Asiatic 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 Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 3 |
| No. of Spectra | 4459 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/16/2018 1:14:14 PM |
Identificators
| InChI | InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1 |
| InChI Key | JXSVIVRDWWRQRT-UYDOISQJSA-N |
| Canonical SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O |
| CAS | 464926 |
| Splash | |
| Other Names |
Dammarolic acid; (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-Dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; (1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-Dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid; 2,3,23-Trihydroxyurs-12-en-28-oic acid; Urs-12en-28-oic acid, 2,3,23-trihydroxy-, (2α, 3β, 4α)- |
In Other Databases
| ChemIDPlus | 000464926 |
| ChemSpider | 106361 |
| KEGG | C08617 |
| PubChem | 119034 |
| ChEMBL | CHEMBL404313 |
| ChEBI | CHEBI:2873 |