input word = C00024115

Metabolite InformationStructural formula
Name Pachysandienol B
Formula C30H48O
Mw 424.37051615
CAS RN 69477-79-8
C_ID C00024115 ,
InChIKey UCRWESHCXPQPFM-WRSYFQSKNA-N
InChICode InChI=1S/C30H48O/c1-19-17-30(8)25-12-14-27(5)20(2)23(31)9-10-24(27)28(25,6)15-16-29(30,7)22-18-26(3,4)13-11-21(19)22/h11,17,20,22-25,31H,9-10,12-16,18H2,1-8H3/t20-,22+,23-,24+,25-,27+,28-,29-,30-/m0/s1
SMILES C1[C@@H]([C@@H]([C@@]2([C@@H](C1)[C@]1([C@H](CC2)[C@]2([C@@](CC1)([C@H]1C(=CCC(C1)(C)C)C(=C2)C)C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuxaceaePachysandra terminalis SIEB.et ZUCC. Ref.
zoom in