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CHEBI:200964 - Astraeusin E
| Formula | C30H50O3 |
| Net Charge | 0 |
| Average Mass | 458.727 |
| Monoisotopic Mass | 458.37600 |
| SMILES | C/C(=C\C[C@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)CO |
| InChI | InChI=1S/C30H50O3/c1-19(18-31)8-10-24(32)20(2)21-12-16-30(7)23-9-11-25-27(3,4)26(33)14-15-28(25,5)22(23)13-17-29(21,30)6/h8,20-21,24-26,31-33H,9-18H2,1-7H3/b19-8+/t20-,21+,24-,25-,26-,28+,29+,30-/m0/s1 |
| InChIKey | UEHNBMMEBJQBAI-OXFAJEQKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Astraeus odoratus (ncbitaxon:265491) | - | DOI (10.1016/j.tet.2016.04.057) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Astraeusin E (CHEBI:200964) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,5S,6S)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-ene-1,5-diol |
| Manual Xrefs | Databases |
|---|---|
| 78436702 | ChemSpider |