input word = C00013182

Metabolite InformationStructural formula
Name Celapanigine
Celapagine 4-acetate
4,6-bis(Acetyloxy)-10-(benzoyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid
Formula C32H37NO9
Mw 579.24683179
CAS RN 52691-07-3
C_ID C00013182 ,
InChIKey SRHNEIJTWOSNCY-UHFFFAOYNA-N
InChICode InChI=1S/C32H37NO9/c1-18-14-15-23(38-19(2)34)31(6)27(41-29(37)22-13-10-16-33-17-22)25(39-20(3)35)24-26(32(18,31)42-30(24,4)5)40-28(36)21-11-8-7-9-12-21/h7-13,16-18,23-27H,14-15H2,1-6H3/t18-,23+,24+,25-,26-,27+,31+,32+/m1/s1
SMILES [C@@H]12[C@H]([C@@H]([C@]3([C@@]([C@@H](CC[C@@H]3OC(=O)C)C)(OC1(C)C)[C@@H]2OC(=O)c1ccccc1)C)OC(=O)c1cccnc1)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCasuarinaceaeCasuarina sticta Ref.
PlantaeCelastraceaeCelastrus paniculatus Ref.
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OrganismCelastrus paniculatus
ReferenceWagner,Tetrahedron,31,(1975),1949