input word = C00060347

Metabolite InformationStructural formula
Name (3S,4aR,5R,6R,11R,12R,12aR)-11-(Acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-5,12-dihydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl (betaR)-beta-(dimethylamino)benzenepropanoate
Formula C33H45NO7
Mw 567.3196028
CAS RN 172303-96-7
C_ID C00060347
InChIKey BJUSJVLOCSEFRP-QRQAICDMSA-N
InChICode InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)27-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(27,6)31(39)30(40-20(3)35)28(18)32(22,4)5/h9-13,22-23,25,27,29-31,38-39H,2,14-17H2,1,3-8H3/t22-,23+,25-,27-,29+,30+,31-,33+/m0/s1
SMILES C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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