PFAS
全球PFAS筛查数据库
麦冬皂苷B
Ophiopogonin B
麦冬皂苷B, α-D-Galactopyranoside, (1β,3β,25R)-3-hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-, 4-Octacosanone,24-hydroxy, 24-hydroxy-4-octacosanone, (1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-D-galactopyranoside
CAS号: 38971-41-4
IUPAC名称: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
分子式: C39H62O12
分子量: 722.902
InChI: InChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(40)14-27(38(21,6)24(23)10-11-37(25,28)5)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17-,18+,19+,20-,22-,23-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-/m1/s1
InChIKey: OWGURJWJHWYCIQ-AKYREZHBSA-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=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C)OC1
EINECS: -
