(Q104977772)

English

6-[10,14-Dihydroxy-7,7,12,16-tetramethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one

group of stereoisomers with the chemical formula C₄₂H₇₀O₁₅

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Statements

instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

814.4714715400005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₇₀O₁₅

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canonical SMILES

O=C(CCC(C)C1C(O)CC2(C)C3C(O)CC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC64CC36CCC12C)C(OC7OC(CO)C(O)C(O)C7O)(C)C

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Identifiers

InChI

InChI=1S/C42H70O15/c1-19(8-9-25(47)38(4,5)57-36-33(53)31(51)29(49)23(17-44)55-36)27-21(46)15-40(7)34-20(45)14-24-37(2,3)26(56-35-32(52)30(50)28(48)22(16-43)54-35)10-11-41(24)18-42(34,41)13-12-39(27,40)6/h19-24,26-36,43-46,48-53H,8-18H2,1-7H3

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InChIKey

DFDNICKFFXMJLY-UHFFFAOYSA-N

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PubChem CID

162991654

1 reference

based on heuristic

inferred from InChIKey

(Q104977772)

6-[10,14-Dihydroxy-7,7,12,16-tetramethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one

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