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(Q105163502)
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Sclarealdehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enal
1 reference
based on heuristic
inferred from SMILES
mass
306.255880328
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(Z)-5-[(1R,2R,4aS,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal
1 reference
based on heuristic
inferred from InChI
(Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal
1 reference
based on heuristic
inferred from InChI
(E)-5-[(1S,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₂
0 references
canonical SMILES
O=CC=C(C)CCC1C(O)(C)CCC2C(C)(C)CCCC12C
0 references
isomeric SMILES
C/C(=C\C=O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O
0 references
found in taxon
Juniperus thurifera
1 reference
stated in
Terpenoids from leaves of Juniperus thurifera
Arnica angustifolia
1 reference
stated in
Diterpenes from Arnica angustifolia
Haplopappus arbutoides
1 reference
stated in
Friedolabdanes and other constituents from chileanHaplopappus species
Haplopappus glutinosus
1 reference
stated in
Friedolabdanes and other constituents from chileanHaplopappus species
Identifiers
InChI
InChI=1S/C20H34O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,14,16-17,22H,6-9,11-13H2,1-5H3/b15-10+/t16-,17+,19-,20+/m0/s1
0 references
InChIKey
MGQCJMAMKIFKOH-NUKBDRAPSA-N
0 references
PubChem CID
14138911
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MGQCJMAMKIFKOH-NUKBDRAPSA-N
UniChem compound ID
96527449
1 reference
stated in
UniChem
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