input word = C00049605

Metabolite InformationStructural formula
Name 3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Formula C30H48O4
Mw 472.35526002
CAS RN 239789-91-4
C_ID C00049605 ,
InChIKey OKYPZXYLZZJAMB-FCHSIJRQNA-N
InChICode InChI=1S/C30H48O4/c1-18-23-19-7-8-21-26(4)11-10-22(32)25(2,3)20(26)9-12-27(21,5)30(19,17-31)16-15-29(23)14-13-28(18,6)34-24(29)33/h18-23,31-32H,7-17H2,1-6H3/t18-,19-,20-,21+,22+,23-,26+,27+,28-,29-,30-/m0/s1
SMILES C[C@H]1[C@@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(CO)CC[C@@]23CC[C@]1(C)OC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
zoom in