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(Q105217890)
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English
2-[[6-[6-[1-(3,17-Dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-4-hydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
group of stereoisomers with the chemical formula C₃₉H₆₄O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
pregnane steroid
1 reference
inferred from
pregnane steroid
mass
788.4194359680004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₉H₆₄O₁₆
0 references
canonical SMILES
OCC1OC(OCC2OC(OC3C(O)CC(OC3C)OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)C(O)C(O)C2O)C(O)C(O)C1O
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Identifiers
InChI
InChI=1S/C39H64O16/c1-17-34(55-36-33(48)31(46)29(44)26(54-36)16-50-35-32(47)30(45)28(43)25(15-40)53-35)24(42)14-27(51-17)52-18(2)39(49)12-9-23-21-6-5-19-13-20(41)7-10-37(19,3)22(21)8-11-38(23,39)4/h5,17-18,20-36,40-49H,6-16H2,1-4H3
0 references
InChIKey
QBLAUIZDOQEVFK-UHFFFAOYSA-N
0 references
PubChem CID
163083815
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QBLAUIZDOQEVFK-UHFFFAOYSA-N
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