2-Propanyl 4-[(3S,5aR,6R,7R,8aS)-6-[(1E)-3-oxo-4-phenoxy-1-buten-1-yl]-7-(tetrahydro-2H-pyran-2-yloxy)octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate

HCID 68752255

ノート反応

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)OC(=O)CCC[C@H]1CC[C@@H]2[C@@H](/C=C/C(=O)COc3ccccc3)[C@H](OC3CCCCO3)C[C@@H]2OC1
InChIKey: CGJFBQWRHRPMRF-MVYWFBFJSA-N
分子式: C31H44O7
平均分子量: 528.7 g/mol
単同位体質量: 528.30870374

名称と識別子

優先名称: 2-Propanyl 4-[(3S,5aR,6R,7R,8aS)-6-[(1E)-3-oxo-4-phenoxy-1-buten-1-yl]-7-(tetrahydro-2H-pyran-2-yloxy)octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate
IUPAC: propan-2-yl 4-[(3S,5aR,6R,7R,8aS)-7-(oxan-2-yloxy)-6-[(E)-3-oxo-4-phenoxybut-1-enyl]-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate

名称と別名

SCHEMBL3705396CGJFBQWRHRPMRF-MVYWFBFJSA-N2-Propanyl 4-[(3S,5aR,6R,7R,8aS)-6-[(1E)-3-oxo-4-phenoxy-1-buten-1-yl]-7-(tetrahydro-2H-pyran-2-yloxy)octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate