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(Q105274676)
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English
dimethyl (4aR,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Dimethyl 5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate
1 reference
based on heuristic
inferred from SMILES
mass
374.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
dimethyl (4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
dimethyl (4aS,5S,6S,8aS)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀O₅
0 references
canonical SMILES
O=C(OC)C1=CCCC2C1(C)CCC(C(=O)OC)C2(C)CCC3=COC=C3
0 references
isomeric SMILES
COC(=O)C1=CCC[C@H]2[C@@]1(C)CC[C@@H](C(=O)OC)[C@]2(C)CCc1ccoc1
0 references
found in taxon
Chrozophora oblongifolia
1 reference
stated in
Diterpenoids from the roots of Croton oblongifolius
Croton oblongifolius
1 reference
stated in
Diterpenoids from the roots of Croton oblongifolius
Identifiers
InChI
InChI=1S/C22H30O5/c1-21(11-8-15-10-13-27-14-15)17(20(24)26-4)9-12-22(2)16(19(23)25-3)6-5-7-18(21)22/h6,10,13-14,17-18H,5,7-9,11-12H2,1-4H3/t17-,18+,21-,22-/m0/s1
0 references
InChIKey
UKLZKUFVLXPLCP-UDKICSLYSA-N
0 references
PubChem CID
10833247
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UKLZKUFVLXPLCP-UDKICSLYSA-N
UniChem compound ID
32555669
1 reference
stated in
UniChem
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