(Q105154796)

English

2-[2-[4,5-Dihydroxy-2-[(2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-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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instance of

group of stereoisomers

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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

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canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C5C=CC67OCC8(CCC(C)(C)CC68)C(O)CC7(C)C5(C)CCC4C3(C)C)C)C(OC9OCC(O)C(O)C9O)C(O)C1O

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Identifiers

InChI

InChI=1S/C47H76O16/c1-22-30(51)33(54)36(63-40-37(34(55)32(53)24(19-48)60-40)62-38-35(56)31(52)23(49)20-57-38)39(59-22)61-29-11-12-43(6)25(42(29,4)5)9-13-44(7)26(43)10-14-47-27-17-41(2,3)15-16-46(27,21-58-47)28(50)18-45(44,47)8/h10,14,22-40,48-56H,9,11-13,15-21H2,1-8H3

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InChIKey

LOMHITWHYXGWQO-UHFFFAOYSA-N

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PubChem CID

162993618

1 reference

based on heuristic

inferred from InChIKey

(Q105154796)

2-[2-[4,5-Dihydroxy-2-[(2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl)oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

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