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(Q105309221)
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English
methyl 2-[(2'S,4R,4aR,8R,8aS)-4-hydroxy-2',4,7,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 2-(4-hydroxy-2',4,7,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl)acetate
1 reference
based on heuristic
inferred from SMILES
mass
336.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
O=C(OC)CC1(OC2(C(=CCC3C(O)(C)CCCC32C)C)CC1)C
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isomeric SMILES
COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)O
0 references
found in taxon
Delia coronariae
1 reference
stated in
Diterpenes related to grindelic acid and further constituents from Grindelia species
Grindelia hirsutula
1 reference
stated in
Diterpenes related to grindelic acid and further constituents from Grindelia species
Grindelia stricta
1 reference
stated in
Diterpenes related to grindelic acid and further constituents from Grindelia species
Identifiers
InChI
InChI=1S/C20H32O4/c1-14-7-8-15-18(3,9-6-10-19(15,4)22)20(14)12-11-17(2,24-20)13-16(21)23-5/h7,15,22H,6,8-13H2,1-5H3/t15-,17+,18+,19-,20-/m1/s1
0 references
InChIKey
WNPXLRJLRYVJFB-DABHTEOTSA-N
0 references
PubChem CID
162986932
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WNPXLRJLRYVJFB-DABHTEOTSA-N
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