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(Q105007753)
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English
(1S,2R,4aR,8aR)-1,4a,5-trimethyl-1-[(E)-3-methyl-5-oxopent-3-enyl]-2,3,4,7,8,8a-hexahydronaphthalene-2-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
clerodane diterpenoid
0 references
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2R,4aR,8aR)-1,4a,5-trimethyl-1-[(Z)-3-methyl-5-oxopent-3-enyl]-2,3,4,7,8,8a-hexahydronaphthalene-2-carbaldehyde
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=CC=C(C)CCC1(C)C(C=O)CCC2(C(=CCCC21)C)C
0 references
isomeric SMILES
CC1=CCC[C@@H]2[C@](C)(CC/C(C)=C/C=O)[C@H](C=O)CC[C@@]12C
0 references
found in taxon
Jungermannia infusca
1 reference
stated in
Clerodane, kaurane and labdane diterpenoids from the liverwort Jungermannia infusca
Identifiers
InChI
InChI=1S/C20H30O2/c1-15(10-13-21)8-11-20(4)17(14-22)9-12-19(3)16(2)6-5-7-18(19)20/h6,10,13-14,17-18H,5,7-9,11-12H2,1-4H3/b15-10+/t17-,18-,19-,20+/m0/s1
0 references
InChIKey
GFRWNCUQTMDADX-CHDXTAOESA-N
0 references
PubChem CID
163011097
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GFRWNCUQTMDADX-CHDXTAOESA-N
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