input word = C00013132

Metabolite InformationStructural formula
Name 8alpha-Benzoyloxyacetylpringleine
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,7,9,10-hexol 6,10-diacetate 4,5,7-tribenzoate
Formula C42H44O14
Mw 772.27310612
CAS RN 11950-73-3
C_ID C00013132 ,
InChIKey BWHOERWUKSULBL-UHFFFAOYNA-N
InChICode InChI=1S/C42H44O14/c1-24(43)50-23-41-33(51-25(2)44)30(53-36(46)27-16-10-7-11-17-27)22-40(6,49)42(41)34(52-26(3)45)31(39(4,5)56-42)32(54-37(47)28-18-12-8-13-19-28)35(41)55-38(48)29-20-14-9-15-21-29/h7-21,30-35,49H,22-23H2,1-6H3/t30-,31+,32+,33-,34-,35-,40+,41+,42-/m0/s1
SMILES O1[C@]23[C@@]([C@H]([C@@H]([C@@H](C1(C)C)[C@@H]3OC(=O)C)OC(=O)c1ccccc1)OC(=O)c1ccccc1)([C@H]([C@H](C[C@@]2(C)O)OC(=O)c1ccccc1)OC(=O)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus pringlei Ref.
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