(Q105263097)

English

[(1R,2S,3R,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1,4-Ethano-1H-cyclopent[c]oxepin-8-ol, octahydro-1,3,3,6-tetramethyl-, acetate, (1S,4R,5aR,6R,8R,8aS)-

1 reference

based on heuristic

inferred from SMILES

[(1S,3R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

280.203844756 dalton

1 reference

1 reference

C₁₇H₂₈O₃

0 references

canonical SMILES

O=C(OC1CC(C)C2CC3CCC(OC3(C)C)(C)C12)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@H](C)[C@H]2C[C@@H]3CC[C@@](C)(OC3(C)C)[C@H]12

0 references

found in taxon

Valeriana fauriei

2 references

stated in

Sesquiterpenoids and iridoid glycosides from Valeriana fauriei

stated in

Antidepressant principles of Valeriana fauriei roots

Valeriana officinalis

3 references

stated in

Sesquiterpenoids and iridoid glycosides from Valeriana fauriei

stated in

Antidepressant principles of Valeriana fauriei roots

stated in

A guaiane-type sesquiterpene, valeracetate from Valeriana officinalis

Identifiers

InChI

InChI=1S/C17H28O3/c1-10-8-14(19-11(2)18)15-13(10)9-12-6-7-17(15,5)20-16(12,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12+,13-,14-,15+,17-/m1/s1

0 references

InChIKey

SXGDMINSYARVTP-LPYKJYNFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SXGDMINSYARVTP-LPYKJYNFSA-N

(Q105263097)

[(1R,2S,3R,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-yl] acetate

Statements

Identifiers

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