(Q104397418)

English

methyl (1R,2R,6R,8R,13S,14S,17S)-15,16-dihydroxy-9,13-dimethyl-3-[(3-methylbutanoyl)oxy]-4,10-dioxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-11-ene-17-carboxylate

group of stereoisomers with the chemical formula C₃₂H₄₄O₁₆

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instance of

group of stereoisomers

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684.2629353279999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₄₄O₁₆

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canonical SMILES

O=C(OC1C(=O)OC2CC3C(C(=O)C(OC4OC(CO)C(O)C(O)C4O)=CC3(C)C5C(O)C(O)C6(OCC25C16)C(=O)OC)C)CC(C)C

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isomeric SMILES

COC(=O)[C@@]12OC[C@]34[C@@H](C(O)C1O)[C@@]1(C)C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C(C)[C@H]1C[C@H]3OC(=O)C(OC(=O)CC(C)C)[C@H]24

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Identifiers

InChI

InChI=1S/C32H44O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h8,11-13,15-16,19-26,28,33,36-40H,6-7,9-10H2,1-5H3/t12?,13-,15?,16-,19?,20?,21?,22?,23?,24+,25+,26?,28?,30+,31-,32+/m1/s1

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InChIKey

QDQJWSSPAMZRIA-PAMYWQCVSA-N

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(Q104397418)

methyl (1R,2R,6R,8R,13S,14S,17S)-15,16-dihydroxy-9,13-dimethyl-3-[(3-methylbutanoyl)oxy]-4,10-dioxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-11-ene-17-carboxylate

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