[(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl] acetate (Q105233168)

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chemical compound

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Language	Label	Description	Also known as
English	[(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl] acetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

264.208930136 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₈O₂

0 references

canonical SMILES

O=C(OC1(C)CCC2C(C3C(C)CCC31)C2(C)C)C

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isomeric SMILES

CC(=O)O[C@@]1(C)CC[C@@H]2[C@@H]([C@@H]3[C@@H](C)CC[C@@H]31)C2(C)C

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found in taxon

Thymus capitatus

1 reference

stated in

Trace constituents in the essential oil of Thymus capitatus

Thymus martinezii

1 reference

stated in

Trace constituents in the essential oil of Thymus capitatus

Thymbra capitata

1 reference

stated in

Trace constituents in the essential oil of Thymus capitatus

Identifiers

InChI

InChI=1S/C17H28O2/c1-10-6-7-12-14(10)15-13(16(15,3)4)8-9-17(12,5)19-11(2)18/h10,12-15H,6-9H2,1-5H3/t10-,12-,13+,14+,15-,17-/m0/s1

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InChIKey

RBKZSYFCQJXCHB-YSZIICFESA-N

0 references

PubChem CID

162904897

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

RBKZSYFCQJXCHB-YSZIICFESA-N

 

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