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(Q105158413)
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English
2-[3-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
group of stereoisomers with the chemical formula C₄₅H₇₂O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
spirostans
1 reference
inferred from
spirostans
mass
868.4820362240005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₅H₇₂O₁₆
0 references
canonical SMILES
OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC6OC7(OCC(C)CC7)C(C)C65)C3(C)CC2)C(OC8OC(C)C(O)C(O)C8O)C(OC9OC(C)C(O)C(O)C9O)C1O
0 references
Identifiers
InChI
InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-37(53)35(51)32(48)22(4)56-41)38(33(49)29(17-46)58-42)59-40-36(52)34(50)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3
0 references
InChIKey
LWMZJBVLZFGRJF-UHFFFAOYSA-N
0 references
PubChem CID
73120449
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LWMZJBVLZFGRJF-UHFFFAOYSA-N
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