[(1R,2R,7S,8S,10S)-2,6,6-trimethyl-9-methylidene-10-tricyclo[5.4.0.02,8]undecanyl] acetate (Q105233571)

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chemical compound

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

Statements

instance of

type of chemical entity

0 references

subclass of

(1R,8S,10S)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.0²,⁸]undecan-10-yl acetate

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

262.193280072 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₆O₂

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canonical SMILES

O=C(OC1C(=C)C2C3C(C1)C2(C)CCCC3(C)C)C

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isomeric SMILES

C=C1[C@@H](OC(C)=O)C[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/C17H26O2/c1-10-13(19-11(2)18)9-12-15-14(10)17(12,5)8-6-7-16(15,3)4/h12-15H,1,6-9H2,2-5H3/t12-,13+,14+,15+,17-/m1/s1

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InChIKey

RCEFXIVQCAIFDV-JLHDYFKBSA-N

0 references

PubChem CID

162959859

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

RCEFXIVQCAIFDV-JLHDYFKBSA-N

 

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