异穿心莲内酯(4176-96-9)名称与标识符
名称
英文别名:
2(5H)-Furanone, 3-[(3aR,5aS,6R,7R,9aR,9bS)-dodecahydro-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethylnaphtho[2,1-b]furan-2-yl]-;Isoandrographolide;
标识符
InChIKey:
QTYVPMSAPQBXMM-BXTHMLGCSA-N
Inchi:
1S/C20H30O5/c1-18-7-5-16(22)19(2,11-21)14(18)4-8-20(3)15(18)10-13(25-20)12-6-9-24-17(12)23/h6,13-16,21-22H,4-5,7-11H2,1-3H3/t13?,14-,15-,16+,18+,19-,20+/m0/s1
SMILES:
O1CC=C(C2O[C@]3(C)CC[C@@]4([H])[C@](C)([C@]3([H])C2)CC[C@@H](O)[C@]4(CO)C)C1=O