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(Q105005598)
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English
2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
group of stereoisomers with the chemical formula C₃₉H₆₄O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
spirostans
1 reference
inferred from
spirostans
mass
756.4296067280003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₉H₆₄O₁₄
0 references
canonical SMILES
OCC1OC(OCC2OC(OC3CCC4(C)C(C3)C(O)CC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C(O)C(O)C2O)C(O)C(O)C1O
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Identifiers
InChI
InChI=1S/C39H64O14/c1-17-5-10-39(49-15-17)18(2)28-25(53-39)13-22-20-12-24(41)23-11-19(6-8-37(23,3)21(20)7-9-38(22,28)4)50-36-34(47)32(45)30(43)27(52-36)16-48-35-33(46)31(44)29(42)26(14-40)51-35/h17-36,40-47H,5-16H2,1-4H3
0 references
InChIKey
GARIYKJPRDSJFN-UHFFFAOYSA-N
0 references
PubChem CID
74429609
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GARIYKJPRDSJFN-UHFFFAOYSA-N
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