input word = C00029413

Metabolite InformationStructural formula
Name 19-nor-16alpha-Acetoxy-10beta-hydroxyasclepin
Formula C32H44O12
Mw 620.28327687
CAS RN 869222-82-2
C_ID C00029413 ,
InChIKey GTDWVHHOYGPTHH-QIIGAEJGNA-N
InChICode InChI=1S/C32H44O12/c1-15-9-25(42-17(3)34)32(38)28(40-15)43-22-11-19-5-6-21-20(30(19,36)12-23(22)44-32)7-8-29(4)27(18-10-26(35)39-14-18)24(41-16(2)33)13-31(21,29)37/h10,15,19-25,27-28,36-38H,5-9,11-14H2,1-4H3/t15-,19+,20+,21-,22-,23-,24-,25+,27+,28+,29-,30-,31+,32+/m1/s1
SMILES CC(=O)O[C@H]1C[C@@H](C)O[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)[C@H](OC(C)=O)C[C@]56O)[C@@]4(O)C[C@H]3O[C@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica L. Ref.
zoom in