input word = C00050959

Metabolite InformationStructural formula
Name Isomultiflorenyl acetate
Formula C32H52O2
Mw 468.3967309
CAS RN 22611-25-2
C_ID C00050959
InChIKey IQPSCJJRYFMIOC-ZJHZAFJQNA-N
InChICode InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)22-12-15-32(9)25-20-27(2,3)16-17-29(25,6)18-19-31(32,8)23(22)10-11-24(30)28(26,4)5/h24-26H,10-20H2,1-9H3/t24-,25+,26-,29+,30+,31+,32-/m0/s1
SMILES CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@@]2(C)CCC(C)(C)C[C@H]2[C@]1(C)CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBenincasa cerifera Ref.
PlantaeCucurbitaceaeBenincasa hispida Ref.
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OrganismBenincasa cerifera
ReferenceSengupta, P. et al., Tetrahedron, 1963, 19, 123 (synth)