input word = C00060019

Metabolite InformationStructural formula
Name [3S-(3alpha,4aalpha,5alpha,6alpha,11beta,12alpha,12abeta)]-3-Phenyl-2-propenoic acid, 5,11,12-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6-hydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester
Formula C35H42O10
Mw 622.27779756
CAS RN 148090-72-6
C_ID C00060019
InChIKey VBLNERPSGWCFQJ-ROLYQHHFSA-N
InChICode InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3/t26-,29-,30+,31-,32-,34+,35+/m0/s1
SMILES C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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