input word = C00043816

Metabolite InformationStructural formula
Name Phorbasterone A
(-)-Phorbasterone A
Formula C29H44O4
Mw 456.32395989
CAS RN 682808-87-3
C_ID C00043816 ,
InChIKey ICVWSINXYBAOLU-GXFMGYIKNA-N
InChICode InChI=1S/C29H44O4/c1-17(2)18(3)8-9-19(4)21-12-13-22-20-10-11-24-25(30)29(32,26(31)33-7)16-28(24,6)23(20)14-15-27(21,22)5/h8-9,11,17-23,32H,10,12-16H2,1-7H3/b9-8+/t18-,19+,20+,21-,22+,23+,27-,28-,29+/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@@H](C)/C=C/[C@H](C(C)C)C)C)CC=C1[C@@]2(C[C@](C1=O)(C(=O)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas amaranthus Ref.
zoom in