input word = C00060832

Metabolite InformationStructural formula
Name 6alpha-Hydroxycastasterone
Formula C28H50O5
Mw 466.36582471
CAS RN 220566-70-1
C_ID C00060832
InChIKey CVXIEYXJQSRIAC-KLUYZAHOSA-N
InChICode InChI=1S/C28H50O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-26,29-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1
SMILES CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(O)C4CC(O)C(O)CC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
zoom in