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(Q105179404)
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English
methyl (1S,4aR,5S,8aR)-5-[2-[(2S,3R)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 5-[2-[3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
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)C1(C)CCCC2(C)C(C(=C)CCC12)CCC3(OC3CO)C
0 references
isomeric SMILES
C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@]1(C)O[C@@H]1CO
0 references
found in taxon
Juniperus communis
2 references
stated in
Diterpene acids from Juniperus communis subsp. Hemisphaerica
stated in
New natural diterpene acids from Juniperus communis
Juniperus communis var. communis
1 reference
stated in
Diterpene acids from Juniperus communis subsp. Hemisphaerica
Identifiers
InChI
InChI=1S/C21H34O4/c1-14-7-8-16-19(2,10-6-11-20(16,3)18(23)24-5)15(14)9-12-21(4)17(13-22)25-21/h15-17,22H,1,6-13H2,2-5H3/t15-,16+,17+,19+,20-,21-/m0/s1
0 references
InChIKey
NHJGQJUKSFZOKQ-IEYHANHQSA-N
0 references
PubChem CID
162907400
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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