input word = C00060065

Metabolite InformationStructural formula
Name [3S-[3alpha(E),4aalpha,5alpha,6alpha,11beta,12alpha,12aalpha]]-3-Phenyl-2-propenoic acid, 5,11-bis(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,12-dihydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester
Formula C33H40O9
Mw 580.26723288
CAS RN 151625-77-3
C_ID C00060065
InChIKey HLPVOSINJUNJAG-CLBJOLCOSA-N
InChICode InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3/b14-13+/t24-,27-,28+,29-,30-,32+,33+/m0/s1
SMILES C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)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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OrganismTaxus baccata
Referencehttps://doi.org/10.1021/np030311y