(Q105126073)

English

[12-Acetyloxy-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl] 3-methylbutanoate

group of stereoisomers with the chemical formula C₄₄H₆₆O₁₇

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instance of

group of stereoisomers

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866.4300006520006 dalton

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based on heuristic

inferred from InChI

chemical formula

C₄₄H₆₆O₁₇

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canonical SMILES

O=C(OC)C=C1CC2OC(C1)CC3(O)OC(CC(O)CC(=O)OC(CC4OC(O)(C(OC(=O)C)C(=CC(=O)OC)C4)C(C=C2)(C)C)C(O)C)CC(OC(=O)CC(C)C)C3(C)C

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Identifiers

InChI

InChI=1S/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3

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InChIKey

JEHAMBABWZFXRB-UHFFFAOYSA-N

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26 December 2021

matched by identifier from

InChIKey

JEHAMBABWZFXRB-UHFFFAOYSA-N

1 reference

(Q105126073)

[12-Acetyloxy-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl] 3-methylbutanoate

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