PFAS
全球PFAS筛查数据库
多根乌头碱
Karacoline
(1α,14α,16β)-20-Ethyl-16-methoxy-4-methylaconitane-1,8,14-triol, Karacoline, Karakoline, 20-Ethyl-16-β-methoxy-4-methylaconitane-1-α,8,14-α-triol, Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1α,14α,16β)-
CAS号: 39089-30-0
IUPAC名称: (1S,4S,5S,6S,8S,9S,13R,16S)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
分子式: C22H35NO4
分子量: 377.518
InChI: InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12?,13+,14+,15?,16+,17?,18+,19?,20+,21+,22-/m1/s1
InChIKey: HKQZUYOVMYOFIT-DAKPKMGASA-N
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34C2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6CC4C5[C@H]6O)OC)O)O)C
EINECS: -
