input word = C00057771

Metabolite InformationStructural formula
Name 3beta,15alpha,22S-Triacetoxylanosta-7,9(11),24E-trien-26-oic acid
Formula C36H52O8
Mw 612.36621864
CAS RN 112430-70-3
C_ID C00057771
InChIKey OCLVBEOPEKEKNM-YMFHRCEFSA-N
InChICode InChI=1S/C36H52O8/c1-20(32(40)41)11-13-28(42-22(3)37)21(2)27-19-31(44-24(5)39)36(10)26-12-14-29-33(6,7)30(43-23(4)38)16-17-34(29,8)25(26)15-18-35(27,36)9/h11-12,15,21,27-31H,13-14,16-19H2,1-10H3,(H,40,41)/b20-11+/t21-,27+,28-,29-,30-,31-,34+,35+,36+/m0/s1
SMILES CC(=O)O[C@@H](C/C=C(C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiGanodermataceaeGanoderma lucidum Ref.
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OrganismGanoderma lucidum
ReferenceToth, J.O. et al., Tet. Lett., 1983, 24, 1081 (isol, deriv)