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CHEBI:211332 - Astraeusin K
| Formula | C30H48O3 |
| Net Charge | 0 |
| Average Mass | 456.711 |
| Monoisotopic Mass | 456.36035 |
| SMILES | C[C@H]([C@@H]1CC[C@@H](C)[C@H](O)O1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 |
| InChI | InChI=1S/C30H48O3/c1-18-8-10-23(33-26(18)32)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(31)14-15-28(24,5)21(22)13-17-29(20,30)6/h18-20,23-24,26,32H,8-17H2,1-7H3/t18-,19+,20-,23+,24+,26-,28-,29-,30+/m1/s1 |
| InChIKey | HYEBEDUHRUQRHO-DTFIVSTGSA-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 K (CHEBI:211332) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (5R,10S,13R,14R,17R)-17-[(1S)-1-[(2S,5R,6R)-6-hydroxy-5-methyloxan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| Manual Xrefs | Databases |
|---|---|
| 78437441 | ChemSpider |