(Q105193601)

English

14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxylic acid

group of stereoisomers with the chemical formula C₂₉H₄₂O₁₀

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instance of

group of stereoisomers

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550.277797544 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₁₀

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(O)C6O)CCC5(C(=O)O)C4CCC23C

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Identifiers

InChI

InChI=1S/C29H42O10/c1-14-22(31)23(32)24(33)25(38-14)39-17-5-9-28(26(34)35)16(12-17)3-4-20-19(28)6-8-27(2)18(7-10-29(20,27)36)15-11-21(30)37-13-15/h11,14,16-20,22-25,31-33,36H,3-10,12-13H2,1-2H3,(H,34,35)

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InChIKey

OKJYWYPYIBXZKZ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OKJYWYPYIBXZKZ-UHFFFAOYSA-N

(Q105193601)

14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxylic acid

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