PFAS
全球PFAS筛查数据库
菝葜
smilagenin
(25R)-5beta-spirostan-3beta-ol, ISOSARSAPOGENIN, (25R)-SPIROSTAN-3BETA-OL, SMILAGENIN, EINECS 204-775-8, (25R)-Spirostan-3.β.-ol, ESMILAGENIN, ISOSARSAPOGENINE, ISOSARSASAPOGENIN, MFCD00037845, 25R,5BETA-SPIROSTAN-3BETA-OL
CAS号: 126-18-1
IUPAC名称: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
分子式: C27H44O3
分子量: 416.63600
InChI: InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey: GMBQZIIUCVWOCD-UQHLGXRBSA-N
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
EINECS: -
