input word = C00012167

Metabolite InformationStructural formula
Name [1aR-(1aR*,5R*,7R*,10aR*,10bR*)]-2-(Hydroxymethyl)-, 5-(acetyloxy)-8-[(acetyloxy)methyl]-1a,2,3,4,5,6,7,9,10a,10b-decahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester 2-propenoic acid
Formula C23H28O11
Mw 480.16316174
CAS RN 68799-60-0
C_ID C00012167 ,
InChIKey ATMQBEVBIJMHNY-UHFFFAOYNA-N
InChICode InChI=1S/C23H28O11/c1-11(9-24)20(28)31-15-8-23(5,33-13(3)26)16(27)6-7-22(4)19(34-22)18-17(15)14(21(29)32-18)10-30-12(2)25/h15,18-19,24H,1,6-10H2,2-5H3/t15-,18+,19-,22+,23+/m0/s1
SMILES [C@@H]1(C[C@@](C(=O)CC[C@@]2([C@H]([C@H]3C1=C(C(=O)O3)COC(=O)C)O2)C)(C)OC(=O)C)OC(=O)C(=C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeErlangea remifolia Ref.
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OrganismErlangea remifolia
ReferenceBohlmann,Phytochem.,17,(1978),1190

Bohlmann,Phytochem.,21,(1982),1045