Chemical structure
19Alpha-Hydroxyasiatic Acid
| CID | Molecular formula | Molecular weight | Canonical smiles | Isomeric smiles | Exact mass |
|---|---|---|---|---|---|
| 490367 | C30H48O6 | 504.7 | CC1CCC2(CCC3(C(=CCC4 C3(CCC5C4(CC(C(C5(C) CO)O)O)C)C)C2C1(C)O) C)C(=O)O | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O | 504.345089 |
SMILES: C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Synonym
| Synonym |
|---|
| 19Alpha-Hydroxyasiatic Acid |
| 23-hydroxytormentic acid |
| CHEBI:67915 |
| 70868-78-9 |
| Myrianthic acid |
| meyanthic acid |
| Niga-ichigoside F1 aglycone |
| 19 alpha-Hydroxyasiatic acid |
| CHEMBL515920 |
| SCHEMBL5797542 |
| 89786-84-5 |
| ZINC42876689 |
| (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| 23-Hydroxytormentic acid, >=95% (LC/MS-ELSD) |
| Q27136389 |
| (2a,3b,4a)-2,3,19,23-Tetrahydroxyurs-12-en-28-oic acid |
| (2alpha,3beta)-2,3,19,23-tetrahydroxyurs-12-en-28-oic acid |
Microbial origin
| Microorganism group | Scientific Name | Reference | Source |
|---|---|---|---|
| Algae | Ahnfeltia plicata | ||
| Fungi | Lycoperdon pyriforme |
Database:UNPD* |
NPASS |