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(Q115950927)
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English
(Z)-5-[(1R,2S,4aS,8aS)-2-formyl-5,5,8a-trimethyl-6-oxo-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(2-formyl-5,5,8a-trimethyl-6-oxo-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(Z)-5-[(1R,2R,4aS,8aS)-2-formyl-5,5,8a-trimethyl-6-oxo-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=CC1CCC2C(C(=O)CCC2(C)C1CCC(=CC(=O)O)C)(C)C
0 references
isomeric SMILES
C/C(=C/C(=O)O)CC[C@@H]1[C@@H](C=O)CC[C@@H]2C(C)(C)C(=O)CC[C@@]12C
0 references
found in taxon
Ayapana amygdalina
1 reference
stated in
Neue α-santalen- und labdan-derivate aus Ayapana amygdalina
Identifiers
InChI
InChI=1S/C20H30O4/c1-13(11-18(23)24)5-7-15-14(12-21)6-8-16-19(2,3)17(22)9-10-20(15,16)4/h11-12,14-16H,5-10H2,1-4H3,(H,23,24)/b13-11-/t14-,15-,16-,20+/m1/s1
0 references
InChIKey
IIXVPQNKGDRLOT-MOAJIUSVSA-N
0 references
PubChem CID
162977790
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IIXVPQNKGDRLOT-MOAJIUSVSA-N
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