PFAS
全球PFAS筛查数据库
依沙芦星
Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione,10-[[2-O-(2-amino-2,6-dideoxy-3-O-methyl-a-D-galactopyranosyl)-6-deoxy-3-C-methyl-b-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl-
Elsamitrucin, E-87/025, elsamicin A
CAS号: 97068-30-9
IUPAC名称: 3-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
分子式: C33H35NO13
分子量: 653.63000
InChI: InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1
InChIKey: MGQRRMONVLMKJL-KWJIQSIXSA-N
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O
EINECS: -
