薯蓣皂素(512-04-9)核磁图(13CNMR)
InChI:InChI=1/C27H42O3/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/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/s3
InChIKey: WQLVFSAGQJTQCK-VFRMDOABNA-N
Smiles:C[C@H]1[C@]2([H])[C@]3(CC[C@]4([H])[C@]5(CC[C@H](O)CC5=CC[C@@]4([H])[C@]3([H])C[C@]2([H])O[C@]21OC[C@H](C)CC2)C)C |&1:1,2,4,7,9,12,18,20,23,26,29,r|