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(Q105185621)
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English
(1S,4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-[2-(Furan-3-yl)ethyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
318.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Crolechinic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
O=C(O)C1CCCC2C1(C)CCC(C)C2(C)CCC3=COC=C3
0 references
isomeric SMILES
C[C@@H]1CC[C@@]2(C)[C@@H](C(=O)O)CCC[C@@H]2[C@@]1(C)CCc1ccoc1
0 references
found in taxon
Croton lechleri
1 reference
stated in
Diterpenes from Croton lechleri
Identifiers
InChI
InChI=1S/C20H30O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h9,12-14,16-17H,4-8,10-11H2,1-3H3,(H,21,22)/t14-,16-,17-,19+,20+/m1/s1
0 references
InChIKey
NTRSOYPAPOGZQP-NQAGYIRISA-N
0 references
PubChem CID
10064492
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NTRSOYPAPOGZQP-NQAGYIRISA-N
UniChem compound ID
32046495
1 reference
stated in
UniChem
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