input word = C00041500

Metabolite InformationStructural formula
Name Dichapetalin J
(+)-Dichapetalin J
Formula C39H52O7
Mw 632.37130401
CAS RN 876610-27-4
C_ID C00041500 ,
InChIKey KOTGYKATMONDCA-HDZOHKCUNA-N
InChICode InChI=1S/C39H52O7/c1-22(19-40)14-26-16-27(34(43)46-26)28-11-13-38-20-39(28,38)33(42)18-31-35(2)12-10-24-15-29(23-6-8-25(44-5)9-7-23)45-21-36(24,3)30(35)17-32(41)37(31,38)4/h6-10,14,26-33,40-42H,11-13,15-21H2,1-5H3/b22-14+/t26-,27-,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+,39+/m0/s1
SMILES C1[C@H]2[C@]([C@@]34[C@@]([C@@H]1O)([C@@H](CC3)[C@H]1C(=O)O[C@H](C1)/C=C(\C)/CO)C4)([C@@H](C[C@@H]1[C@@]2(CC=C2[C@@]1(CO[C@@H](C2)c1ccc(cc1)OC)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDichapetalaceaeDichapetalum gelonioides Ref.
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OrganismDichapetalum gelonioides
ReferenceFang,J.Nat.Prod.,69,(2006),332