input word = C00060212

Metabolite InformationStructural formula
Name (13alpha,14beta,17alpha,20S,23R,24S)-23-Hydroxy-24,25-[(1-methylethylidene)bis(oxy)]-3-oxo-lanost-7-en-21-oic acid, gamma-lactone
Formula C33H50O5
Mw 526.36582471
CAS RN 1621983-67-2
C_ID C00060212
InChIKey PFYAYWVJNMEDBS-GCIKTYRXSA-N
InChICode InChI=1S/C33H50O5/c1-28(2)24-11-10-22-21(31(24,7)15-14-25(28)34)13-17-32(8)20(12-16-33(22,32)9)19-18-23(36-27(19)35)26-29(3,4)38-30(5,6)37-26/h10,19-21,23-24,26H,11-18H2,1-9H3/t19-,20-,21-,23+,24-,26-,31+,32-,33+/m0/s1
SMILES CC1(C)OC(C2CC(C3CCC4(C)C5=CCC6C(C)(C)C(=O)CCC6(C)C5CCC34C)C(=O)O2)C(C)(C)O1
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/j.fitote.2013.11.004