input word = C00024076

Metabolite InformationStructural formula
Name Cyclonervilol acetate
Formula C33H54O2
Mw 482.41238097
CAS RN 78330-41-3
C_ID C00024076 ,
InChIKey WENHZJZHSCAYHJ-BRBNVNQDNA-N
InChICode InChI=1S/C33H54O2/c1-9-25(21(2)3)11-10-22(4)26-14-16-31(8)29-13-12-27-23(5)28(35-24(6)34)15-17-32(27)20-33(29,32)19-18-30(26,31)7/h10-11,21-23,25-29H,9,12-20H2,1-8H3/b11-10+/t22-,23-,25-,26+,27-,28-,29-,30+,31-,32+,33-/m0/s1
SMILES CCC(/C=C/C(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeNervilia purpurea SCHLECHTER Ref.
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