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(Q105201881)
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English
2-[5-Hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
group of stereoisomers with the chemical formula C₄₅H₇₀O₁₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
spirostans
1 reference
inferred from
spirostans
mass
882.4613007800006
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₅H₇₀O₁₇
0 references
canonical SMILES
OCC1OC(OC2C(O)C(OC(OC3CC4=CCC5C(CCC6(C)C5CC7OC8(OCC(=C)CC8)C(C)C76)C4(C)CC3)C2OC9OC(C)C(O)C(O)C9O)CO)C(O)C(O)C1O
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Identifiers
InChI
InChI=1S/C45H70O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,20-21,23-42,46-54H,1,7-18H2,2-5H3
0 references
InChIKey
OWBQRHWTHXHYCE-UHFFFAOYSA-N
0 references
PubChem CID
73203940
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OWBQRHWTHXHYCE-UHFFFAOYSA-N
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