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(Q105022255)
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English
2-[2-[4,5-Dihydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
group of stereoisomers with the chemical formula C₄₇H₇₆O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
896.5133363520005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₇H₇₆O₁₆
0 references
canonical SMILES
OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C5C=CC6=C7CC(C)(C)CCC7(CO)C(O)CC6(C)C5(C)CCC4C3(C)C)C)C(OC8OCC(O)C(O)C8O)C(O)C1O
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Identifiers
InChI
InChI=1S/C47H76O16/c1-22-31(52)34(55)37(63-41-38(35(56)33(54)26(19-48)60-41)62-39-36(57)32(53)25(50)20-58-39)40(59-22)61-30-12-13-44(6)27(43(30,4)5)11-14-45(7)28(44)10-9-23-24-17-42(2,3)15-16-47(24,21-49)29(51)18-46(23,45)8/h9-10,22,25-41,48-57H,11-21H2,1-8H3
0 references
InChIKey
GWDRPRWADKYHLP-UHFFFAOYSA-N
0 references
PubChem CID
163036152
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GWDRPRWADKYHLP-UHFFFAOYSA-N
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