[(1R,2S,7R,8S,9R,10R)-9-hydroxy-2,6,6-trimethyl-11-methylidene-10-tricyclo[5.4.0.02,8]undecanyl] acetate (Q105259850)

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chemical compound

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Language	Label	Description	Also known as
English	[(1R,2S,7R,8S,9R,10R)-9-hydroxy-2,6,6-trimethyl-11-methylidene-10-tricyclo[5.4.0.02,8]undecanyl] acetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

(9-Hydroxy-2,6,6-trimethyl-11-methylidene-10-tricyclo[5.4.0.02,8]undecanyl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

278.188194692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₆O₃

0 references

canonical SMILES

O=C(OC1C(=C)C2C3C(C1O)C2(C)CCCC3(C)C)C

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isomeric SMILES

C=C1[C@@H](OC(C)=O)[C@H](O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C

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found in taxon

Marsupella emarginata

1 reference

stated in

Volatile components from European liverworts Marsupella emarginata, M. aquatica and M. alpina

Identifiers

InChI

InChI=1S/C17H26O3/c1-9-11-12-13(14(19)15(9)20-10(2)18)17(11,5)8-6-7-16(12,3)4/h11-15,19H,1,6-8H2,2-5H3/t11-,12-,13-,14-,15-,17+/m1/s1

0 references

InChIKey

SSRSFLZAFQCYHK-LFTXJNCRSA-N

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PubChem CID

162912868

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SSRSFLZAFQCYHK-LFTXJNCRSA-N

 

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