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CG 4305
Naxaprostene [INN], CG-4305, UNII-6QS1XD4508, Naxaprostene
CAS号: 87269-59-8
IUPAC名称: 3-[(E)-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid
分子式: C25H32O4
分子量: 396.51900
InChI: InChI=1S/C25H32O4/c26-23(18-6-2-1-3-7-18)10-9-21-22-14-17(13-20(22)15-24(21)27)11-16-5-4-8-19(12-16)25(28)29/h4-5,8-12,18,20-24,26-27H,1-3,6-7,13-15H2,(H,28,29)/b10-9+,17-11+/t20-,21+,22-,23+,24+/m0/s1
InChIKey: OINUMRGCICIETD-CGKNXJIZSA-N
SMILES: C1CCC(CC1)[C@@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2C/C(=C/C4=CC(=CC=C4)C(=O)O)/C3)O)O
EINECS: -
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