(Q105031368)

English

2-{[6-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-15-(5,6-dihydroxy-6-methylheptan-2-yl)-9-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₆H₇₈O₁₈

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instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

918.5188156560006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₇₈O₁₈

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canonical SMILES

OCC1OC(OC2CC3(C)C4CC(O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC7OCC(O)C(O)C7O)CCC85CC48CCC3(C)C2C(C)CCC(O)C(O)(C)C)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C46H78O18/c1-20(8-9-27(51)42(4,5)58)29-24(61-39-35(57)33(55)32(54)25(16-47)62-39)15-44(7)26-14-21(48)37-41(2,3)28(10-11-46(37)19-45(26,46)13-12-43(29,44)6)63-40-36(31(53)23(50)18-60-40)64-38-34(56)30(52)22(49)17-59-38/h20-40,47-58H,8-19H2,1-7H3

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InChIKey

HOLYOOXYJNTQAV-UHFFFAOYSA-N

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PubChem CID

3481925

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HOLYOOXYJNTQAV-UHFFFAOYSA-N

1 reference

(Q105031368)

2-{[6-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-15-(5,6-dihydroxy-6-methylheptan-2-yl)-9-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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