(Q104995688)

English

5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]oxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₇H₇₆O₁₇

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

912.5082509720005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₇H₇₆O₁₇

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canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CC(O)C6(C)CCC54C)C2(C)C)C(OC7OC(CO)C(O)C(O)C7OC8OCC(O)C(O)C8O)C(O)C1O

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Identifiers

InChI

InChI=1S/C47H76O17/c1-42(2)17-22-21-9-10-26-45(6)13-12-28(43(3,4)25(45)11-14-47(26,8)46(21,7)16-15-44(22,5)27(50)18-42)61-41-37(33(55)32(54)35(62-41)38(57)58)64-40-36(31(53)30(52)24(19-48)60-40)63-39-34(56)29(51)23(49)20-59-39/h9,22-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)

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InChIKey

FIFSQWVJNDAAIM-UHFFFAOYSA-N

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PubChem CID

78101175

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FIFSQWVJNDAAIM-UHFFFAOYSA-N

1 reference

(Q104995688)

5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]oxane-2-carboxylic acid

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