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English
Kessyl glycol 8-acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3-Hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
296.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₈O₄
0 references
canonical SMILES
O=C(OC1CC2(OC(C)(C)C1CC3C(C)CC(O)C32)C)C
0 references
isomeric SMILES
CC(=O)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@H]1[C@H]2[C@H](O)C[C@H]1C
0 references
found in taxon
Valeriana officinalis
3 references
stated in
A guaiane-type sesquiterpene, valeracetate from Valeriana officinalis
stated in
Sesquiterpenoids and iridoid glycosides from Valeriana fauriei
stated in
A guaiane-type sesquiterpene, valeracetate from Valeriana officinalis
Valeriana fauriei
1 reference
stated in
Sesquiterpenoids and iridoid glycosides from Valeriana fauriei
Identifiers
InChI
InChI=1S/C17H28O4/c1-9-6-13(19)15-11(9)7-12-14(20-10(2)18)8-17(15,5)21-16(12,3)4/h9,11-15,19H,6-8H2,1-5H3/t9-,11-,12+,13-,14+,15+,17+/m1/s1
0 references
InChIKey
XCGZLOPHNCJNRF-OXCLCMQMSA-N
0 references
PubChem CID
101636140
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XCGZLOPHNCJNRF-OXCLCMQMSA-N
UniChem compound ID
97242185
1 reference
stated in
UniChem
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