(Q104399874)

English

3-{2-[(4aS,5R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexahydro-1H-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one

group of stereoisomers with the chemical formula C₂₆H₄₀O₁₀

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instance of

group of stereoisomers

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512.2621474799998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₆H₄₀O₁₀

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canonical SMILES

O=C1OCC(O)C1=CCC2C(=C)CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)C(O)CCC23C

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(CCC(O)[C@@]2(C)COC2OC(CO)C(O)C(O)C2O)C1CC=C1C(=O)OCC1O

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Identifiers

InChI

InChI=1S/C26H40O10/c1-13-4-7-18-25(2,15(13)6-5-14-16(28)11-34-23(14)33)9-8-19(29)26(18,3)12-35-24-22(32)21(31)20(30)17(10-27)36-24/h5,15-22,24,27-32H,1,4,6-12H2,2-3H3/t15?,16?,17?,18-,19?,20?,21?,22?,24?,25-,26-/m0/s1

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InChIKey

VUEPOIYXKZTLMD-RFUHAETOSA-N

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(Q104399874)

3-{2-[(4aS,5R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexahydro-1H-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one

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