input word = C00035251

Metabolite InformationStructural formula
Name Bauer-7-ene-3beta,16alpha-diol
Formula C30H50O2
Mw 442.38108084
CAS RN 214351-30-1
C_ID C00035251 ,
InChIKey RSBGODIKJNCIHA-SFXJODEWNA-N
InChICode InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)21-9-10-22-26(3,4)23(31)13-15-27(22,5)20(21)12-16-29(30,7)25(28)19(18)2/h9,18-20,22-25,31-32H,10-17H2,1-8H3/t18-,19+,20+,22+,23+,24-,25-,27-,28-,29+,30-/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(C)[C@H](O)C[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites tricholobus Ref.
zoom in



OrganismPetasites tricholobus
ReferenceXie,Phytochem.,66,(2005),2340