(Q82896796)

English

Card-20(22)-enolide, 12,14,19-trihydroxy-2,3-((tetrahydro-3,4-dihydroxy-6-(hydroxymethyl)-2H-pyran-3,2-diyl)bis(oxy))-, (3beta(2S,3S,4S,6S),5alpha,12beta)-

group of stereoisomers with the chemical formula C₂₉H₄₂O₁₁

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Statements

instance of

group of stereoisomers

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566.2727121639998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₂O₁₁

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC6OC7(O)C(O)CC(OC7OC6CC5(CO)C4CC(O)C23C)CO

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isomeric SMILES

C[C@]12[C@H](O)C[C@H]3[C@@H](CC[C@H]4C[C@@H]5O[C@@]6(O)[C@@H](O)C[C@@H](CO)O[C@H]6OC5C[C@@]43CO)C1(O)CC[C@@H]2C1=CC(=O)OC1

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found in taxon

Pergularia tomentosa

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stated in

Cardenolide glycosides from Pergularia tomentosa and their proapoptotic activity in Kaposi's sarcoma cells

stated in

Biochemical studies on ghalakinoside, a possible antitumor agent from Pergularia tomentosa

stated in

Cardenolides from Pergularia tomentosa display cytotoxic activity resulting from their potent inhibition of Na+/K+-ATPase

stated in

Ghalakinoside, a cytotoxic cardiac glycoside from Pergularia tomentosa

stated in

Cardenolides from Pergularia tomentosa display cytotoxic activity resulting from their potent inhibition of Na+/K+-ATPase

stated in

Cardenolides from Pergularia tomentosa display cytotoxic activity resulting from their potent inhibition of Na+/K+-ATPase

Identifiers

InChI

InChI=1S/C29H42O11/c1-26-17(14-6-24(34)37-12-14)4-5-28(26,35)18-3-2-15-7-20-21(10-27(15,13-31)19(18)9-22(26)32)39-25-29(36,40-20)23(33)8-16(11-30)38-25/h6,15-23,25,30-33,35-36H,2-5,7-13H2,1H3/t15-,16-,17+,18+,19-,20-,21?,22+,23-,25-,26-,27+,28?,29-/m0/s1

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InChIKey

PKXHXJCYJPHQNB-WKCCLVTPSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID701351839

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(Q82896796)

Card-20(22)-enolide, 12,14,19-trihydroxy-2,3-((tetrahydro-3,4-dihydroxy-6-(hydroxymethyl)-2H-pyran-3,2-diyl)bis(oxy))-, (3beta(2S,3S,4S,6S),5alpha,12beta)-

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