主记录
DNWCHCXQZFJKPS-BUHFOSPRSA-N
- CAS
- 54713-44-9
- PubChem CID
- 11834864
- SMILES
- C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)/C=C/C(COC5=CC(=CC=C5)Cl)O
- 分子式
- C30H27ClO6
- 分子量
- 518.993
- 精确分子量
- 518.1496
- InChI
- InChI=1S/C30H27ClO6/c31-22-7-4-8-24(15-22)35-18-23(32)13-14-25-26-16-29(33)36-28(26)17-27(25)37-30(34)21-11-9-20(10-12-21)19-5-2-1-3-6-19/h1-15,23,25-28,32H,16-18H2/b14-13+
- InChIKey
- DNWCHCXQZFJKPS-BUHFOSPRSA-N
- LogP
- 5.4801
- TPSA
- 82.06
名称与别名
- DNWCHCXQZFJKPS-BUHFOSPRSA-N
- ZINC08385647
- CID11834864
- AE-641/01100012
- AE-641/01100016
- AE-641/01143005
- [1,1'-Biphenyl]-4-carboxylic acid, 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclop enta[b]furan-5-yl ester, [3aR-[3aa,4a(1E,3R*),5b,6aa]]
- 54713-44-9
- 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
- [4-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate