(Q104398787)

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Novanin

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(6,10-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

290.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,6E,9S,10Z,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,6E,9R,10E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,6E,9S,10Z,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,6E,9S,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₄

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canonical SMILES

O=C1OC2C=C(C)C(OC(=O)C)CC=C(C)CCC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(/C)CC[C@@H]12

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found in taxon

Grosvenoria rimbachii

1 reference

stated in

Diterpenes and norditerpenes from the Aristeguetia group

Argyranthemum adauctum

1 reference

stated in

Distribution of acetylenes and sesquiterpene lactones in Argyranthemum from tenerife

Artemisia douglasiana

1 reference

stated in

11β,13-Dihydroguaianolides from Artemisia douglasiana and a thiophene acetylene from A. schmidtiana

Artemisia rutifolia

1 reference

stated in

Seco-guaianolides and other constituents from Artemisia species

Kaunia arbuscularis

1 reference

stated in

A Further Guaianolide from Kaunia arbuscularis.

Achillea distans

1 reference

stated in

Terpenoids from Achillea distans Waldst. & Kit. ex Willed

Identifiers

InChI

InChI=1S/C17H22O4/c1-10-5-7-14-12(3)17(19)21-16(14)9-11(2)15(8-6-10)20-13(4)18/h6,9,14-16H,3,5,7-8H2,1-2,4H3/b10-6-,11-9-/t14-,15-,16+/m0/s1

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InChIKey

XENYZNVJFQEFDC-ABZLBRGFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104398787)

Novanin

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Identifiers

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