input word = C00049133

Metabolite InformationStructural formula
Name Castanopsol
Formula C30H50O2
Mw 442.38108084
CAS RN 66088-16-2
C_ID C00049133 ,
InChIKey VPWXGMNKWRCBHL-FEGFQUFQNA-N
InChICode InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22-,23-,24-,27+,28+,29+,30-/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2([C@H](C[C@@H](C1(C)C)O)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanopsis indica Ref.
PlantaeLabiataeMarsypianthes chamaedrys Ref.
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OrganismCastanopsis indica
ReferencePant,Phytochem.,17,(1978),575