化合物产品

(3aR,4R,5R,6aS)-2-Oxo-4-((E)-3-oxo-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl benzoate

CAS 登记号55076-60-3
(3aR,4R,5R,6aS)-2-Oxo-4-((E)-3-oxo-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl benzoate chemical structure
主记录

(3aR,4R,5R,6aS)-2-Oxo-4-((E)-3-oxo-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl benzoate

CAS
55076-60-3
PubChem CID
20527919
SMILES
C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=CC=C3)/C=C/C(=O)CCC4=CC=CC=C4
分子式
C25H24O5
分子量
404.462
精确分子量
404.1624
InChI
InChI=1S/C25H24O5/c26-19(12-11-17-7-3-1-4-8-17)13-14-20-21-15-24(27)29-23(21)16-22(20)30-25(28)18-9-5-2-6-10-18/h1-10,13-14,20-23H,11-12,15-16H2/b14-13+
InChIKey
XMDHRDDKCRNISB-BUHFOSPRSA-N
LogP
3.9217
TPSA
69.67

名称与别名

  • (3aR,4R,5R,6aS)-2-Oxo-4-((E)-3-oxo-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl benzoate
  • 55076-60-3