(Q104996473)

English

[(1S,2S,3S,5S,8E,10S,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-10-yl] 2-methylpropanoate

chemical compound

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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]tetradec-8-en-10-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

350.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₆

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Schistostephium crataegifolium

1 reference

stated in

Sesquiterpene lactones and other constituents from Schistostephium species

Identifiers

InChI

InChI=1S/C19H26O6/c1-9(2)17(21)23-14-10(3)7-6-8-19(5)16(25-19)13(20)12-11(4)18(22)24-15(12)14/h7,9,12-16,20H,4,6,8H2,1-3,5H3/b10-7+/t12-,13-,14-,15+,16-,19-/m0/s1

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InChIKey

FKAXTWSRTCKBKT-VPPQWMCISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FKAXTWSRTCKBKT-VPPQWMCISA-N

(Q104996473)

[(1S,2S,3S,5S,8E,10S,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-10-yl] 2-methylpropanoate

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Identifiers

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