input word = C00063304

Metabolite InformationStructural formula
Name (2E)-3-Phenyl-2-propenoic acid, (3S,4aR,6R,8S,11R,12R,12aR)-3,8-bis(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-12-hydroxy-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-11-yl ester
Formula C33H42O7
Mw 550.2930537
CAS RN 890706-95-3
C_ID C00063304
InChIKey OIDROLNPPXXFPD-ARASHVSRSA-N
InChICode InChI=1S/C33H42O7/c1-19-25-17-24-18-27(39-22(4)35)20(2)29(32(24,5)6)30(40-28(36)14-13-23-11-9-8-10-12-23)31(37)33(25,7)16-15-26(19)38-21(3)34/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3/b14-13+/t24-,25-,26+,27+,30-,31+,33-/m1/s1
SMILES C=C1C(OC(C)=O)CCC2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(=O)C=Cc3ccccc3)C2O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus cuspidata
Referencehttps://doi.org/10.1248/cpb.54.306