(Q105151117)

English

(3-Acetyloxy-4-benzoyloxy-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-2-yl) benzoate

group of stereoisomers with the chemical formula C₃₆H₄₀O₁₀

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instance of

group of stereoisomers

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632.26214748 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₀O₁₀

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canonical SMILES

O=C(OC1C(OC(=O)C)C(OC(=O)C=2C=CC=CC2)C3(C)C4C(=O)CC(C=C)(C(=O)C4(O)C(O)CC3C1(C)C)C)C=5C=CC=CC5

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Identifiers

InChI

InChI=1S/C36H40O10/c1-7-34(5)19-23(38)27-35(6)24(18-25(39)36(27,43)32(34)42)33(3,4)28(45-30(40)21-14-10-8-11-15-21)26(44-20(2)37)29(35)46-31(41)22-16-12-9-13-17-22/h7-17,24-29,39,43H,1,18-19H2,2-6H3

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InChIKey

LFPSUBPBKLUQAL-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LFPSUBPBKLUQAL-UHFFFAOYSA-N

(Q105151117)

(3-Acetyloxy-4-benzoyloxy-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-2-yl) benzoate

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