(Q105154868)

English

[2,7,14-Triacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-5-(2-methylpropanoyloxy)-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate

group of stereoisomers with the chemical formula C₄₂H₅₄O₁₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

798.346271028 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₄O₁₅

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canonical SMILES

O=C(OC1C2(OCC3(C(OC(=O)C)C=CC(C23)C(OC(=O)C)(C)C)C(OC(=O)C)C4C(OC(=O)CC)C(OC(=O)C(C)C)(C)CC14OC(=O)C)C)C=5C=CC=CC5

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Identifiers

InChI

InChI=1S/C42H54O15/c1-12-30(47)53-33-31-34(52-24(5)44)41-21-50-40(11,32(41)28(38(8,9)55-25(6)45)18-19-29(41)51-23(4)43)37(54-36(49)27-16-14-13-15-17-27)42(31,56-26(7)46)20-39(33,10)57-35(48)22(2)3/h13-19,22,28-29,31-34,37H,12,20-21H2,1-11H3

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InChIKey

LOQRPHFDWNYUIW-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

LOQRPHFDWNYUIW-UHFFFAOYSA-N

(Q105154868)

[2,7,14-Triacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-5-(2-methylpropanoyloxy)-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate

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