(Q105260773)

English

[(1S,2R,4R,5S,7S,9Z,11S)-4-hydroxy-9-(hydroxymethyl)-4-methyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[4-Hydroxy-9-(hydroxymethyl)-4-methyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

392.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4R,5R,7S,9Z,11R)-4-hydroxy-9-(hydroxymethyl)-4-methyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₈

0 references

canonical SMILES

O=C(OC1CC(O)(C)C2OC2C(=O)C(=CC3OC(=O)C(=C)C31)CO)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(/CO)C(=O)[C@H]3O[C@@H]3[C@](C)(O)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12

0 references

found in taxon

Tithonia pedunculata

1 reference

stated in

An acyclic diterpene and sesquiterpene lactones from Tithonia pedunculata

Identifiers

InChI

InChI=1S/C20H24O8/c1-5-9(2)18(23)27-13-7-20(4,25)17-16(28-17)15(22)11(8-21)6-12-14(13)10(3)19(24)26-12/h5-6,12-14,16-17,21,25H,3,7-8H2,1-2,4H3/b9-5-,11-6-/t12-,13+,14+,16+,17-,20+/m0/s1

0 references

InChIKey

SUBGEMJEVFBRLC-HUSKELRDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105260773)

[(1S,2R,4R,5S,7S,9Z,11S)-4-hydroxy-9-(hydroxymethyl)-4-methyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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