input word = C00036016

Metabolite InformationStructural formula
Name 5alpha-Spirostan-3beta,12beta,15alpha-triol
Formula C27H44O5
Mw 448.31887452
CAS RN 873298-81-8
C_ID C00036016 ,
InChIKey KRRVFCHKYIKQTQ-UFKOSRMTNA-N
InChICode InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-18-6-5-16-11-17(28)8-9-25(16,3)19(18)12-20(29)26(21,22)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17+,18-,19+,20-,21+,22-,23-,24-,25+,26+,27-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@]([C@@H](C1)O)([C@@H]1[C@H]([C@@H]2O)O[C@]2([C@H]1C)OC[C@@H](CC2)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCestrum parqui Ref.
zoom in