input word = C00035213

Metabolite InformationStructural formula
Name 2,3-di-O-Acetylanthothecanolide
(-)-2,3-di-O-Acetylanthothecanolide
Formula C30H36O12
Mw 588.22067662
CAS RN 861660-03-9
C_ID C00035213 ,
InChIKey GMPSEAPRXQKNJW-AXJRDDECNA-N
InChICode InChI=1S/C30H36O12/c1-15(31)39-23-24(3,4)19-10-20(33)38-14-26(19)18-6-8-25(5)22(17-7-9-37-12-17)40-21(34)11-29(25,35)27(18)13-28(23,41-16(2)32)30(26,36)42-27/h7,9,12,18-19,22-23,35-36H,6,8,10-11,13-14H2,1-5H3/t18-,19+,22+,23-,25+,26-,27-,28-,29+,30-/m1/s1
SMILES [C@@]12(C[C@]34[C@@H]([C@]5([C@H](C([C@H]1OC(=O)C)(C)C)CC(=O)OC5)[C@]2(O3)O)CC[C@@]1([C@]4(CC(=O)O[C@H]1c1cocc1)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya anthotheca Ref.
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OrganismKhaya anthotheca
ReferenceTchimene,Phytochem.,66,(2005),1088