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(Q105030785)
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English
4-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl)-5H-furan-2-one
group of stereoisomers with the chemical formula C₃₅H₅₄O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
698.3513564080001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₅H₅₄O₁₄
0 references
canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC23C
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Identifiers
InChI
InChI=1S/C35H54O14/c1-33-8-5-18(46-31-29(43)27(41)30(23(14-37)48-31)49-32-28(42)26(40)25(39)22(13-36)47-32)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h11,17-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3
0 references
InChIKey
HNBDQUWKHHHKSF-UHFFFAOYSA-N
0 references
PubChem CID
321972
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HNBDQUWKHHHKSF-UHFFFAOYSA-N
UniChem compound ID
63434533
1 reference
stated in
UniChem
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