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(Q105154581)
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English
2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-[[4-(6-methylhept-5-en-2-yl)cyclohexyl]methoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
group of stereoisomers with the chemical formula C₂₇H₄₈O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
bisabolanes
1 reference
inferred from
bisabolanes
mass
548.6645
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₈O₁₁
0 references
canonical SMILES
OCC1OC(OC2C(O)C(O)C(OCC3CCC(CC3)C(C)CCC=C(C)C)OC2CO)C(O)C(O)C1O
0 references
Identifiers
InChI
InChI=1S/C27H48O11/c1-14(2)5-4-6-15(3)17-9-7-16(8-10-17)13-35-26-24(34)22(32)25(19(12-29)37-26)38-27-23(33)21(31)20(30)18(11-28)36-27/h5,15-34H,4,6-13H2,1-3H3
0 references
InChIKey
LNYRYPVOJHOMRE-UHFFFAOYSA-N
0 references
PubChem CID
162949755
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LNYRYPVOJHOMRE-UHFFFAOYSA-N
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