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(Q105167811)
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English
methyl 2-[(2'S,4S,4aS,8R,8aS)-4-(hydroxymethyl)-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-(hydroxymethyl)-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
350.245709568
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₄O₄
0 references
canonical SMILES
O=C(OC)CC1(OC2(C(=CCC3C(C)(CO)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@@](C)(CO)CCC[C@@]12C
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found in taxon
Delia coronariae
1 reference
stated in
Diterpenes related to grindelic acid and further constituents from Grindelia species
Grindelia camporum
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/C21H34O4/c1-15-7-8-16-18(2,14-22)9-6-10-20(16,4)21(15)12-11-19(3,25-21)13-17(23)24-5/h7,16,22H,6,8-14H2,1-5H3/t16-,18+,19-,20-,21+/m0/s1
0 references
InChIKey
MMJMGOIGFQALOP-DARKYYSBSA-N
0 references
PubChem CID
163096427
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MMJMGOIGFQALOP-DARKYYSBSA-N
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