input word = C00032144

Metabolite InformationStructural formula
Name Sinocrassuloside IV
Formula C48H74O20
Mw 970.47734481
CAS RN 724784-98-9
C_ID C00032144 ,
InChIKey UIXPJVJPQYIJCB-BRSMZAOCNA-N
InChICode InChI=1S/C48H74O20/c1-23(39(60)61)24-11-13-46(6)29(45(24,5)12-8-16-49)10-9-25-26-17-43(2,3)14-15-48(26,30(50)18-47(25,46)7)42(62)68-41-38(59)36(57)34(55)28(67-41)22-65-40-37(58)35(56)33(54)27(66-40)21-64-32(53)20-44(4,63)19-31(51)52/h9,24,26-30,33-38,40-41,49-50,54-59,63H,1,8,10-22H2,2-7H3,(H,51,52)(H,60,61)/t24-,26-,27+,28+,29+,30+,33+,34+,35-,36-,37+,38+,40+,41-,44+,45+,46+,47+,48+/m0/s1
SMILES C=C(C(=O)O)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)C[C@]32C)[C@@]1(C)CCCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula asclepiadea FRANCH Ref.
zoom in



OrganismSinocrassula asclepiadea FRANCH
ReferenceZhao,Chem.Pharm.Bull.,52,(2004),230