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(Q105299141)
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English
(3r,3Ar,8as)-3-isopropyl-8a-methyl-8-oxo-1,2,3,3a,6,7,8,8a-octahydroazulene-5-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-isopropyl-8a-methyl-8-oxo-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,3aS,8aS)-8a-methyl-8-oxo-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3S,3aR,8aR)-8a-methyl-8-oxo-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=CC1=CC2C(CCC2(C(=O)CC1)C)C(C)C
0 references
isomeric SMILES
CC(C)[C@H]1CC[C@]2(C)C(=O)CCC(C=O)=C[C@@H]12
0 references
found in taxon
Cananga odorata
1 reference
stated in
Lignan dicarboxylates and terpenoids from the flower buds of Cananga odorata and their inhibitory effects on melanogenesis.
Haplopappus parvifolius
1 reference
stated in
Seco-, nor-, normal and rearranged labdanes fromHaplopappus parvifolius
Identifiers
InChI
InChI=1S/C15H22O2/c1-10(2)12-6-7-15(3)13(12)8-11(9-16)4-5-14(15)17/h8-10,12-13H,4-7H2,1-3H3/t12-,13+,15+/m1/s1
0 references
InChIKey
VYPYFZUEGQREKP-IPYPFGDCSA-N
0 references
PubChem CID
86302590
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VYPYFZUEGQREKP-IPYPFGDCSA-N
UniChem compound ID
98015705
1 reference
stated in
UniChem
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