2-propanyl 4-[(3S,5aR,6R,7R,8aS)-6-[(1E)-4-phenoxy-1-buten-1-yl)-7-(tetrahydro-2H-pyran-2-yloxy)octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate (HCID 68748821)

기본 정보

표준 SMILES: CC(C)OC(=O)CCC[C@H]1CC[C@@H]2[C@@H](/C=C/CCOc3ccccc3)[C@H](OC3CCCCO3)C[C@@H]2OC1
InChIKey: YRJWKMNAGUQILN-RUVAYVLMSA-N
분자식: C31H46O6
평균 분자량: 514.7 g/mol
단동위원소 질량: 514.32943918

이름 및 식별자

우선 이름: 2-propanyl 4-[(3S,5aR,6R,7R,8aS)-6-[(1E)-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)-4-phenoxybut-1-enyl]-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate

이름 및 동의어

SCHEMBL3698406YRJWKMNAGUQILN-RUVAYVLMSA-N2-propanyl 4-[(3S,5aR,6R,7R,8aS)-6-[(1E)-4-phenoxy-1-buten-1-yl)-7-(tetrahydro-2H-pyran-2-yloxy)octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate