(Q105155269)

English

(11alpha)-3-[(6-Deoxyhexopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide

group of stereoisomers with the chemical formula C₂₉H₄₄O₁₂

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Statements

group of stereoisomers

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1 reference

584.283276848 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₁₂

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OC(C)C(O)C(O)C6O)CC(O)C5(CO)C4C(O)CC23C

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isomeric SMILES

CC1OC(OC2CC(O)C3(CO)C4C(CCC3(O)C2)C2(O)CCC(C3=CC(=O)OC3)C2(C)C[C@H]4O)C(O)C(O)C1O

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Strophanthus kombe

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Search for New Drugs of Plant Origin

Identifiers

InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13?,15?,16?,17?,18-,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?/m1/s1

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LPMXVESGRSUGHW-YGMDXYNPSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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