input word = C00060789

Metabolite InformationStructural formula
Name (2aR,4S,4aS,5R,6R,11S,12S,12aR,12bS)-1,2a,3,4a,9,10,12,12a-Octahydro-4a,8,13,13-tetramethyl-7,11-methano-4H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,11,12,12b(6H)-hexol, 6,12b-diacetate 12-benzoate
Formula C31H40O10
Mw 572.2621475
CAS RN 214855-46-6
C_ID C00060789
InChIKey QEGSIWALDALFRE-NGHSAJJSSA-N
InChICode InChI=1S/C31H40O10/c1-16-12-13-31(37)26(40-27(36)19-10-8-7-9-11-19)24-29(6,20(34)14-21-30(24,15-38-21)41-18(3)33)25(35)23(39-17(2)32)22(16)28(31,4)5/h7-11,20-21,23-26,34-35,37H,12-15H2,1-6H3/t20-,21+,23+,24-,25-,26-,29+,30-,31+/m0/s1
SMILES CC(=O)OC1C2=C(C)CCC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
zoom in