input word = C00013169

Metabolite InformationStructural formula
Name [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,5-bis(Acetyloxy)-6-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid
Formula C32H37NO10
Mw 595.24174641
CAS RN 110559-18-7
C_ID C00013169 ,
InChIKey NZDZSXKCSHEVTK-OUHVNFIWNA-N
InChICode InChI=1S/C32H37NO10/c1-18(34)39-24-23-25(42-28(37)21-13-10-16-33-17-21)32(43-29(23,3)4)30(5,38)15-14-22(31(32,6)26(24)40-19(2)35)41-27(36)20-11-8-7-9-12-20/h7-13,16-17,22-26,38H,14-15H2,1-6H3/t22-,23+,24-,25+,26+,30-,31-,32-/m0/s1
SMILES [C@H]12[C@@H]([C@H]([C@]3([C@]([C@@](CC[C@@H]3OC(=O)c3ccccc3)(C)O)(OC1(C)C)[C@@H]2OC(=O)c1cccnc1)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeRzedowskia tolantonguensis Ref.
zoom in