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(Q105233079)
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English
[9a-(Acetyloxymethyl)-3-(hydroxymethyl)-2-oxo-4,4a,10,10a-tetrahydrofuro[3,2-h][3]benzoxepin-5-yl]methyl 2-methylpropanoate
group of stereoisomers with the chemical formula C₂₁H₂₆O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
elemane sesquiterpenoid
1 reference
inferred from
elemane sesquiterpenoid
mass
406.1627677919998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆O₈
0 references
canonical SMILES
O=C1OC2C(=C1CO)CC3C(=COC=CC3(COC(=O)C)C2)COC(=O)C(C)C
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Identifiers
InChI
InChI=1S/C21H26O8/c1-12(2)19(24)27-10-14-9-26-5-4-21(11-28-13(3)23)7-18-15(6-17(14)21)16(8-22)20(25)29-18/h4-5,9,12,17-18,22H,6-8,10-11H2,1-3H3
0 references
InChIKey
RBESYRLTNBGSPG-UHFFFAOYSA-N
0 references
PubChem CID
162899378
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RBESYRLTNBGSPG-UHFFFAOYSA-N
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