input word = C00040765

Metabolite InformationStructural formula
Name 12alpha-Acetoxyneotrichilenone
(+)-12alpha-Acetoxyneotrichilenone
Formula C28H36O6
Mw 468.25118888
CAS RN 220494-51-9
C_ID C00040765 ,
InChIKey MTGWPMIDAOGMDB-VOUKVXISNA-N
InChICode InChI=1S/C28H36O6/c1-15(29)34-23-13-20-26(4)9-7-21(31)25(2,3)19(26)12-22(32)28(20,6)24-18(30)11-17(27(23,24)5)16-8-10-33-14-16/h7-10,14,17,19-20,22-24,32H,11-13H2,1-6H3/t17-,19+,20+,22+,23-,24-,26?,27+,28-/m0/s1
SMILES C1=C[C@]2([C@@H](C(C1=O)(C)C)C[C@H]([C@@]1([C@@H]2C[C@@H]([C@@]2([C@@H]1C(=O)C[C@H]2c1cocc1)C)OC(=O)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTurraea holstii Ref.
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OrganismTurraea holstii
ReferenceMulholland,Phytochem.,49,(1998),2585