(Q104976710)

English

10-[5-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₄₆H₇₄O₁₆

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

882.4976862880005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₇₄O₁₆

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC8OC(CO)C(O)C(O)C8O)C(C)(C)C5CCC4(C)C3(C)CC1

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Identifiers

InChI

InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)60-39-36(62-38-34(54)32(52)31(51)26(19-47)59-38)35(25(49)21-58-39)61-37-33(53)30(50)24(48)20-57-37/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)

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InChIKey

DDQZVDWFVANFBR-UHFFFAOYSA-N

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PubChem CID

73802646

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DDQZVDWFVANFBR-UHFFFAOYSA-N

(Q104976710)

10-[5-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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Identifiers

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