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(Q105006560)
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English
6-[6-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14,18-dihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one
group of stereoisomers with the chemical formula C₄₂H₇₀O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
cycloartane triterpenoid
1 reference
inferred from
cycloartane triterpenoid
mass
798.4765569200005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₂H₇₀O₁₄
0 references
canonical SMILES
O=C(CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC6OC(CO)C(O)C(O)C6O)CCC74CC37C(O)CC12C)C(C)C
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Identifiers
InChI
InChI=1S/C42H70O14/c1-19(2)21(45)9-8-20(3)29-22(46)14-39(6)26-11-10-25-38(4,5)28(12-13-41(25)18-42(26,41)27(47)15-40(29,39)7)55-37-35(33(51)31(49)24(17-44)54-37)56-36-34(52)32(50)30(48)23(16-43)53-36/h19-20,22-37,43-44,46-52H,8-18H2,1-7H3
0 references
InChIKey
GCXIZQFNXDSDHA-UHFFFAOYSA-N
0 references
PubChem CID
163035204
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GCXIZQFNXDSDHA-UHFFFAOYSA-N
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