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 CC(=O)OC1C(C)(C)[C@@H]2CC(=O)OC[C@@]23[C@H]2CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]4(O)[C@@]24CC1(OC(C)=O)C3(O)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya anthotheca Ref.
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