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CHEBI:227103 - (24E)-7alpha-acetoxy-15alpha-hydroxy-3-oxolanosta-8,24-dien-26-oic acid
| Formula | C32H48O6 |
| Net Charge | 0 |
| Average Mass | 528.730 |
| Monoisotopic Mass | 528.34509 |
| SMILES | CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC2 |
| InChI | InChI=1S/C32H48O6/c1-18(10-9-11-19(2)28(36)37)22-16-26(35)32(8)27-21(12-15-31(22,32)7)30(6)14-13-25(34)29(4,5)24(30)17-23(27)38-20(3)33/h11,18,22-24,26,35H,9-10,12-17H2,1-8H3,(H,36,37)/b19-11+/t18-,22-,23-,24+,26+,30-,31-,32+/m1/s1 |
| InChIKey | WGONJMYNVMROOD-FBFSRSFHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganodermaspecies BCC 16642 (ncbitaxon:1658744) | - | PubMed (26716912) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (24E)-7alpha-acetoxy-15alpha-hydroxy-3-oxolanosta-8,24-dien-26-oic acid (CHEBI:227103) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,6R)-6-[(5R,7R,10S,13R,14R,15S,17R)-7-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78438863 | ChemSpider |