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English
[(1R,3R,6S,7S,8S,10R)-3-hydroxy-2,2,6,8-tetramethyl-10-tricyclo[5.3.1.03,8]undecanyl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.0³,⁸]undecan-10-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
280.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,3R,6S,7S,8S,10S)-3-hydroxy-2,2,6,8-tetramethyl-10-tricyclo[5.3.1.03,8]undecanyl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₈O₃
0 references
canonical SMILES
O=C(OC1CC2(C)C3CC1C(C)(C)C2(O)CCC3C)C
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isomeric SMILES
CC(=O)O[C@@H]1C[C@@]2(C)[C@H]3C[C@@H]1C(C)(C)[C@]2(O)CC[C@@H]3C
0 references
found in taxon
Valeriana fauriei
1 reference
stated in
Sesquiterpenoids from Valeriana fauriei
Valeriana officinalis
1 reference
stated in
Sesquiterpenoids from Valeriana fauriei
Identifiers
InChI
InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12-,13-,14+,16-,17+/m0/s1
0 references
InChIKey
RAPAFGOPSFDECW-UCDKGCPTSA-N
0 references
PubChem CID
25082525
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
56020371
1 reference
stated in
UniChem
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