PFAS
全球PFAS筛查数据库
土荆皮丙酸(Pseudolaric Acid C)
PseudolaricAcid C, (2E,4E)-5-[(1R,7S,8R,9R)-7-Hydroxy-4-(methoxycarbonyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoic acid, (2E,4E)-5-[(3R,4R,4aS,9aR)-4a-hydroxy-7-(methoxycarbonyl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-4,9a-ethanocyclohepta[c]pyran-3(1H)-yl]-2-methylpenta-2,4-dienoic acid, 1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid, 3-[(1E,3E)-4-carboxy-1,3-pentadien-1-yl]-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3-methyl-1-oxo-, 7-methyl ester, (3R,4R,4aS,9aR)-
CAS号: 82601-41-0
IUPAC名称: (2E,4E)-5-[(1R,7S,8R,9R)-7-hydroxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
分子式: C21H26O7
分子量: 390.427
InChI: InChI=1S/C21H26O7/c1-13(16(22)23)5-4-9-19(2)15-8-11-20(18(25)28-19)10-6-14(17(24)27-3)7-12-21(15,20)26/h4-6,9,15,26H,7-8,10-12H2,1-3H3,(H,22,23)/b9-4+,13-5+/t15-,19+,20+,21-/m0/s1
InChIKey: RBXVTEUAOTYIME-GPGKBOPFSA-N
SMILES: C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)O)C(=O)O1)C)/C(=O)O
EINECS: -
