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(Q105181600)
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English
3-Methyl-5-(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-yl)-pent-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
304.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Kolavenic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(E)-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(E)-5-[(1S,2S,4aS,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₂
0 references
canonical SMILES
O=C(O)C=C(C)CCC1(C)C(C)CCC2(C(=CCCC21)C)C
0 references
isomeric SMILES
CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@@H](C)CC[C@@]12C
0 references
found in taxon
Hymenaea courbaril
1 reference
stated in
Clerodane-type diterpenes from the seed pods of Hymenaea courbaril var. stilbocarpa
Identifiers
InChI
InChI=1S/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,13,16-17H,6,8-12H2,1-5H3,(H,21,22)/b14-13+/t16-,17+,19-,20-/m0/s1
0 references
InChIKey
NLVMTSRTOGOFQD-SMNKCIGXSA-N
0 references
PubChem CID
636570
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NLVMTSRTOGOFQD-SMNKCIGXSA-N
UniChem compound ID
51726767
1 reference
stated in
UniChem
NMRShiftDB structure ID
2347
1 reference
matched by identifier from
InChIKey
InChIKey
NLVMTSRTOGOFQD-SMNKCIGXSA-N
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