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 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanopsis indica Ref.
PlantaeLabiataeMarsypianthes chamaedrys Ref.
zoom in



OrganismMarsypianthes chamaedrys
ReferenceMenezes,Phytochem.,48,(1998),323