input word = C00062566

Metabolite InformationStructural formula
Name (5alpha,7alpha,13alpha,17alpha,20S,23S,24R)-7-(Acetyloxy)-21,24:23,24-diepoxy-25-hydroxy-4,4,8-trimethyl-cholesta-1,14-dien-3-one
Formula C32H46O6
Mw 526.3294392
CAS RN 641616-17-3
C_ID C00062566
InChIKey AQTLFNLUWPHUKR-SAJNXEHLSA-N
InChICode InChI=1S/C32H46O6/c1-18(33)37-25-16-23-27(2,3)24(34)12-14-30(23,7)22-11-13-29(6)20(9-10-21(29)31(22,25)8)19-15-26-32(38-26,36-17-19)28(4,5)35/h10,12,14,19-20,22-23,25-26,35H,9,11,13,15-17H2,1-8H3/t19-,20+,22-,23+,25-,26+,29+,30-,31+,32-/m1/s1
SMILES CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C3COC4(C(C)(C)O)OC4C3)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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OrganismAzadirachta indica
Referencehttps://doi.org/10.1002/hlca.200390229