input word = C00063040

Metabolite InformationStructural formula
Name (3beta,4beta,5beta,8alpha,9beta,10alpha,13alpha,14beta)-5,9,13,16-tetramethyl-24,25,26,28-Tetranoroleana-15,17(22)-dien-3-ol, acetate
Formula C32H50O2
Mw 466.38108084
CAS RN 80179-05-1
C_ID C00063040
InChIKey KVWDEPDXVGKIRJ-IPOANELLSA-N
InChICode InChI=1S/C32H50O2/c1-20-18-32(9)27-13-15-29(6)21(2)25(34-22(3)33)10-11-26(29)30(27,7)16-17-31(32,8)24-19-28(4,5)14-12-23(20)24/h12,18,21,24-27H,10-11,13-17,19H2,1-9H3/t21-,24+,25-,26+,27-,29+,30-,31-,32+/m0/s1
SMILES CC(=O)OC1CCC2C(C)(CCC3C2(C)CCC2(C)C4CC(C)(C)CC=C4C(C)=CC32C)C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuxaceaePachysandra terminalis Ref.
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