(Q104938603)

English

[(2Z,4R,8R,9R,11S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[2-(Hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

(2Z,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(4S,8R,9S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(2E,4S,8R,9S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

374.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(2E,4S,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

1 reference

1 reference

[(2E,4S,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

1 reference

1 reference

[(2Z,4S,8S,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₇

0 references

canonical SMILES

O=C(OC1CC2(OC(=CC2=O)C(=CC3OC(=O)C(=C)C31)CO)C)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3

0 references

found in taxon

Helianthus hirsutus

1 reference

stated in

Ent-pimaranes, ent-kauranes, Heliangolides and other Constituents of three Helianthus species

Helianthus petiolaris

1 reference

stated in

Ent-pimaranes, ent-kauranes, Heliangolides and other Constituents of three Helianthus species

Dendroviguiera sylvatica

1 reference

stated in

Anticancer activities of two sesquiterpene lactones, millerenolide and thieleanin isolated from Viguiera sylvatica and Decachaeta thieleana

Identifiers

InChI

InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17 ,20 /m1/s1

0 references

InChIKey

BMVJFNLJSZHNNS-UUCNAOPUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104938603)

[(2Z,4R,8R,9R,11S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

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