(Q104941361)

English

[(9R,10Z,11aR)-3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

320.12598836 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(9R,10E,11aS)-3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(9S,10E,11aR)-3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₆

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canonical SMILES

O=C1OC2C=C(C)C(OC(=O)C)CC(=O)C(=C)CCC2=C1CO

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isomeric SMILES

C=C1CCC2=C(CO)C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)CC1=O

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found in taxon

Achillea fragrantissima

1 reference

stated in

Glaucolides from Achillea fragrantissima

Identifiers

InChI

InChI=1S/C17H20O6/c1-9-4-5-12-13(8-18)17(21)23-16(12)6-10(2)15(7-14(9)20)22-11(3)19/h6,15-16,18H,1,4-5,7-8H2,2-3H3/b10-6-/t15-,16-/m1/s1

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InChIKey

BPBLQZHCVCIWBH-KETLTQCKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BPBLQZHCVCIWBH-KETLTQCKSA-N

(Q104941361)

[(9R,10Z,11aR)-3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

Statements

Identifiers

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