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CHEBI:200762 - Astraeusin H
| Formula | C32H50O5 |
| Net Charge | 0 |
| Average Mass | 514.747 |
| Monoisotopic Mass | 514.36582 |
| SMILES | CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)[C@@H](O)C/C=C(\C)C(=O)O)[C@@]1(C)CC3 |
| InChI | InChI=1S/C32H50O5/c1-19(28(35)36)9-11-25(34)20(2)22-13-17-32(8)24-10-12-26-29(4,5)27(37-21(3)33)15-16-30(26,6)23(24)14-18-31(22,32)7/h9,20,22,25-27,34H,10-18H2,1-8H3,(H,35,36)/b19-9+/t20-,22+,25-,26-,27+,30+,31+,32-/m0/s1 |
| InChIKey | PDMGRFIQUHQMLF-HRGDRPPLSA-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 H (CHEBI:200762) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,5S,6S)-6-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436666 | ChemSpider |