input word = C00060790

Metabolite InformationStructural formula
Name (2aR,4S,4aS,5R,6R,11R,12R,12aR,12bS)-3,4,4a,5,6,9,10,11,12,12a-decahydro-4a,8,13,13-Tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,12,12b(2aH)-pentol, pentaacetate
Formula C30H42O11
Mw 578.27271219
CAS RN 214855-47-7
C_ID C00060790
InChIKey NQBJAPURPTWVMF-XDRYQMDBSA-N
InChICode InChI=1S/C30H42O11/c1-14-10-11-20-24(38-16(3)32)26-29(9,21(37-15(2)31)12-22-30(26,13-36-22)41-19(6)35)27(40-18(5)34)25(39-17(4)33)23(14)28(20,7)8/h20-22,24-27H,10-13H2,1-9H3/t20-,21-,22+,24+,25+,26-,27-,29+,30-/m0/s1
SMILES CC(=O)OC1C2=C(C)CCC(C(OC(C)=O)C3C4(OC(C)=O)COC4CC(OC(C)=O)C3(C)C1OC(C)=O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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