(Q104397393)

English

[(1R,2R,3R,5S,9R,10S,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-10-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

324.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,3R,5R,9R,10R,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1R,2R,3R,5R,9R,10R,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₆

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canonical SMILES

O=C1OC2C(OC(=O)C)C(C)CCCC3(OC3C(O)C2C1=C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H](OC(C)=O)[C@H](C)CCC[C@]3(C)O[C@@H]3[C@H](O)[C@@H]12

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found in taxon

Blumea arfakiana

1 reference

stated in

Medicinal Plants from Papua New Guinea: Graniline-Esters and Germacranolides from Blumea arfakiana.

Blumea balsamifera

1 reference

stated in

Sesquiterpenelactones from Blumea balsamifera

Identifiers

InChI

InChI=1S/C17H24O6/c1-8-6-5-7-17(4)15(23-17)12(19)11-9(2)16(20)22-14(11)13(8)21-10(3)18/h8,11-15,19H,2,5-7H2,1,3-4H3/t8-,11-,12-,13+,14+,15-,17+/m1/s1

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InChIKey

ZZIWIHVMLLHIPS-DWTFXLFXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZZIWIHVMLLHIPS-DWTFXLFXSA-N

1 reference

(Q104397393)

[(1R,2R,3R,5S,9R,10S,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl] acetate

Statements

Identifiers

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