(Q105180187)

English

[(1S,2S,4R,5S,6R,7E,10R,11R,12S)-5,6-dihydroxy-4,8,12-trimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (E)-2-methylbut-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(5,6-Dihydroxy-4,8,12-trimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

380.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,4R,5S,6R,10R,11R,12S)-5,6-dihydroxy-4,8,12-trimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4R,5S,6R,7E,10R,11S,12R)-5,6-dihydroxy-4,8,12-trimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₇

0 references

canonical SMILES

O=C(OC1CC(=CC(O)C(O)C2(OC2C3OC(=O)C(C)C13)C)C)C(=CC)C

0 references

isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1C/C(C)=C/[C@@H](O)[C@H](O)[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21

0 references

Eupatorium perfoliatum

1 reference

An unusual dimeric guaianolide with antiprotozoal activity and further sesquiterpene lactones from Eupatoriumperfoliatum

Identifiers

InChI=1S/C20H28O7/c1-6-10(3)18(23)25-13-8-9(2)7-12(21)16(22)20(5)17(27-20)15-14(13)11(4)19(24)26-15/h6-7,11-17,21-22H,8H2,1-5H3/b9-7+,10-6+/t11-,12+,13+,14+,15-,16-,17-,20+/m0/s1

0 references

NJLPUPGLCFTKPE-NVQLDWBNSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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