PFAS
全球PFAS筛查数据库
3-酮基七鳃鳗醇
3-Keto petromyzonol
(5A,7A,12A)-7,12,24-三羟基胆烷-3-酮, (5α,7α,9ξ,12α,20R)-7,12,24-Trihydroxycholan-3-one, 7ALPHA,12ALPHA,24-TRIHYDROXY-5ALPHA-CHOLANE-3-ONE, Cholan-3-one, 7,12,24-trihydroxy-, (5α,7α,9ξ,12α,20R)-, 3-ketopetromyzonol
CAS号: 359436-56-9
IUPAC名称: (8R,10S,13R)-7,12-dihydroxy-17-(5-hydroxypentan-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
分子式: C24H40O4
分子量: 392.572
InChI: InChI=1S/C24H40O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-15,17-22,25,27-28H,4-13H2,1-3H3/t14?,15?,17?,18?,19?,20?,21?,22-,23-,24+/m0/s1
InChIKey: WKLORKLFLMTHHY-RJQVRNMUSA-N
SMILES: CC(CCCO)C1CCC2[C@@]1(C(CC3[C@H]2C(CC4[C@@]3(CCC(=O)C4)C)O)O)C
EINECS: -
