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(Q105125238)
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English
methyl 2-[(1S,2S,4aR,5R,7S,8R,8aS)-1,5,7-trihydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]prop-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(1S,8abeta)-1beta,5alpha,7alpha-Trihydroxy-4aalpha,8alpha-dimethyldecalin-2alpha-yl]acrylic acid methyl ester
1 reference
based on heuristic
inferred from SMILES
mass
298.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₆O₅
0 references
canonical SMILES
O=C(OC)C(=C)C1CCC2(C)C(O)CC(O)C(C)C2C1O
0 references
isomeric SMILES
C=C(C(=O)OC)[C@@H]1CC[C@]2(C)[C@@H]([C@H]1O)[C@@H](C)[C@@H](O)C[C@H]2O
0 references
found in taxon
Taraxacum disseminatum
1 reference
stated in
Sesquiterpenoids from roots of Taraxacum laevigatum and Taraxacum disseminatum
Taraxacum erythrospermum
1 reference
stated in
Sesquiterpenoids from roots of Taraxacum laevigatum and Taraxacum disseminatum
Taraxacum laevigatum
1 reference
stated in
Sesquiterpenoids from roots of Taraxacum laevigatum and Taraxacum disseminatum
Identifiers
InChI
InChI=1S/C16H26O5/c1-8(15(20)21-4)10-5-6-16(3)12(18)7-11(17)9(2)13(16)14(10)19/h9-14,17-19H,1,5-7H2,2-4H3/t9-,10-,11-,12+,13+,14-,16-/m0/s1
0 references
InChIKey
JCXGAISNIDFPEB-ZDFQDXCVSA-N
0 references
PubChem CID
15540434
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JCXGAISNIDFPEB-ZDFQDXCVSA-N
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