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(Q104938093)
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English
(3E)-4-[(3alpha,4alpha)-4-(beta-D-Glucopyranosyloxy)-3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one
group of stereoisomers with the chemical formula C₁₉H₃₀O₈
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Statements
instance of
group of stereoisomers
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subclass of
megastigmane
1 reference
inferred from
megastigmane
mass
386.19406791999984
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₀O₈
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canonical SMILES
O=C(C=CC1=C(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)CC1(C)C)C
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Identifiers
InChI
InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3
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InChIKey
BLQCWBCWZFDGBW-UHFFFAOYSA-N
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CAS Registry Number
126585-76-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
75990140
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BLQCWBCWZFDGBW-UHFFFAOYSA-N
DSSTox substance ID
DTXSID101113728
1 reference
matched by identifier from
InChIKey
InChIKey
BLQCWBCWZFDGBW-UHFFFAOYSA-N
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