(Q105210087)

English

[(1R,2R,4S,6R,7Z,9Z,11R)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-2-yl] (Z)-2-(hydroxymethyl)but-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-7,9-dien-2-yl 2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4S,6R,7Z,9E,11R)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-2-yl] (Z)-2-(hydroxymethyl)but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4S,6R,7Z,9E,11S)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-2-yl] (Z)-2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₇

0 references

canonical SMILES

O=C1OC2C=C(C=CC3OC3(C)CC(OC(=O)C(=CC)CO)C2C1=C)CO

0 references

isomeric SMILES

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

0 references

found in taxon

Liatris punctata

1 reference

stated in

Punctatin: A new germacradienolide from Liatris punctata

Identifiers

InChI

InChI=1S/C20H24O7/c1-4-13(10-22)19(24)26-15-8-20(3)16(27-20)6-5-12(9-21)7-14-17(15)11(2)18(23)25-14/h4-7,14-17,21-22H,2,8-10H2,1,3H3/b6-5-,12-7-,13-4-/t14-,15-,16-,17+,20+/m1/s1

0 references

InChIKey

PJPPGFOTUNLSNL-GAAINCCTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PJPPGFOTUNLSNL-GAAINCCTSA-N

(Q105210087)

[(1R,2R,4S,6R,7Z,9Z,11R)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-2-yl] (Z)-2-(hydroxymethyl)but-2-enoate

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