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(Q104667956)
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English
2-{[2-hydroxy-3a-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
group of stereoisomers with the chemical formula C₃₆H₆₂O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
lupane
1 reference
inferred from
lupane
mass
638.439383564
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₆H₆₂O₉
0 references
canonical SMILES
OCC1OC(OC2CCC3(C)C(CCC4(C)C3CCC5C6C(C(O)CC6(CO)CCC54C)C(O)(C)C)C2(C)C)C(O)C(O)C1O
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Identifiers
InChI
InChI=1S/C36H62O9/c1-31(2)22-10-13-35(7)23(33(22,5)12-11-24(31)45-30-29(42)28(41)27(40)21(17-37)44-30)9-8-19-25-26(32(3,4)43)20(39)16-36(25,18-38)15-14-34(19,35)6/h19-30,37-43H,8-18H2,1-7H3
0 references
InChIKey
ULMKHYKZFDWSQM-UHFFFAOYSA-N
0 references
PubChem CID
73814325
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ULMKHYKZFDWSQM-UHFFFAOYSA-N
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