input word = C00062803

Metabolite InformationStructural formula
Name (1alpha,5alpha,7alpha,13alpha,14beta,15beta,17alpha)-7-(Acetyloxy)-14,15:21,23-diepoxy-1-methoxy-4,4,8-trimethyl-24-norchola-20,22-diene-3,16-dione
Formula C29H38O7
Mw 498.26175357
CAS RN 72446-28-7
C_ID C00062803
InChIKey GPGPDBWJEGPHOF-APXAAHNJSA-N
InChICode InChI=1S/C29H38O7/c1-15(30)35-21-12-18-25(2,3)19(31)13-20(33-7)27(18,5)17-8-10-26(4)22(16-9-11-34-14-16)23(32)24-29(26,36-24)28(17,21)6/h9,11,14,17-18,20-22,24H,8,10,12-13H2,1-7H3/t17-,18+,20+,21-,22-,24-,26+,27-,28+,29-/m1/s1
SMILES COC1CC(=O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(c5ccoc5)C(=O)C5OC543)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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OrganismAzadirachta indica
Referencehttps://doi.org/10.1016/0031-9422(81)85229-6