(Q104952495)

English

[(1R,3R,7R,11S,13S)-13-methyl-6-methylidene-5-oxo-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadec-9-en-11-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(13-Methyl-6-methylidene-5-oxo-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadec-9-en-11-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

320.12598836 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3R,7R,11S,13R)-13-methyl-6-methylidene-5-oxo-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadec-9-en-11-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₆

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canonical SMILES

O=C1OC2CC34OC(OC3)(C)CC(OC(=O)C)C4=CCC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@]34CO[C@](C)(C[C@H](OC(C)=O)C3=CC[C@H]12)O4

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found in taxon

Geigeria aspera

1 reference

stated in

New sesquiterpene lactones, geranyllinalol derivatives and other constituents from Geigeria species

Geigeria burkei

1 reference

stated in

New sesquiterpene lactones, geranyllinalol derivatives and other constituents from Geigeria species

Geigeria burkei var. burkei

1 reference

stated in

New sesquiterpene lactones, geranyllinalol derivatives and other constituents from Geigeria species

Identifiers

InChI

InChI=1S/C17H20O6/c1-9-11-4-5-12-14(21-10(2)18)6-16(3)20-8-17(12,23-16)7-13(11)22-15(9)19/h5,11,13-14H,1,4,6-8H2,2-3H3/t11-,13-,14+,16+,17+/m1/s1

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InChIKey

CBLSAVBVGZGATC-IMNPFHOJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CBLSAVBVGZGATC-IMNPFHOJSA-N

(Q104952495)

[(1R,3R,7R,11S,13S)-13-methyl-6-methylidene-5-oxo-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadec-9-en-11-yl] acetate

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Identifiers

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