HECOGENIN ACETATE(915-35-5) IR1
Product NameHECOGENIN ACETATE
CAS915-35-5
Molecular FormulaC29H44O5
Molecular Weight472.66
InChIInChI=1/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,29-/s3
InChIKey CVKZWRTYHCDWTE-TWFPRNJQNA-N
Smiles[C@]12([H])[C@H](C)[C@]3(OC[C@H](C)CC3)O[C@@]1([H])C[C@@]1([H])[C@]3([H])CC[C@@]4([H])C[C@@H](OC(=O)C)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]21C |&1:0,2,4,7,12,15,17,21,24,31,33,38,r|
