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(Q105034369)
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English
(3S,4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-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]-3-hydroxy-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₅
0 references
canonical SMILES
O=C(O)C1=CC(O)CC2C1(CO)CCC(C)C2(C)CCC3=COC=C3
0 references
isomeric SMILES
C[C@@H]1CC[C@@]2(CO)C(C(=O)O)=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1
0 references
found in taxon
Baccharis halimifolia
1 reference
stated in
Sesqui- and diterpenes from Baccharis species
Baccharis sarothroides
1 reference
stated in
2β-Hydroxyhautriwaic acid, a clerodane type diterpenoid and other terpenoids from three Baccharis species
Identifiers
InChI
InChI=1S/C20H28O5/c1-13-3-7-20(12-21)16(18(23)24)9-15(22)10-17(20)19(13,2)6-4-14-5-8-25-11-14/h5,8-9,11,13,15,17,21-22H,3-4,6-7,10,12H2,1-2H3,(H,23,24)/t13-,15-,17-,19+,20-/m1/s1
0 references
InChIKey
HVPKRKMUIFIKAV-PUIHCZSXSA-N
0 references
PubChem CID
95790244
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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