input word = C00040816

Metabolite InformationStructural formula
Name 3-Deoxyocotillol
Formula C30H52O2
Mw 444.3967309
CAS RN 25279-18-9
C_ID C00040816 ,
InChIKey QSEHIGFXDFOYFB-GDAIQERINA-N
InChICode InChI=1S/C30H52O2/c1-25(2)15-9-16-27(5)22(25)13-18-29(7)23(27)11-10-20-21(12-17-28(20,29)6)30(8)19-14-24(32-30)26(3,4)31/h20-24,31H,9-19H2,1-8H3/t20-,21+,22+,23-,24-,27+,28-,29-,30+/m1/s1
SMILES CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolypodiaceaePyrrosia lingua Ref.
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OrganismPyrrosia lingua
ReferenceYamashita,Phytochem.,49,(1998),2461