(Q105247231)

English

RXQGHMKIXFUZNT-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₈₂H₅₆O₅₃

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Statements

group of stereoisomers

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1,888.168676652 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₈₂H₅₆O₅₃

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canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3C4=C(O)C(O)=C(O)C=C14)C(OC(=O)C5=CC(O)=C(O)C(OC6=C(O)C(O)=C(O)C=C6C(=O)OC7C8OC(=O)C9=CC(=O)C%10(O)OC=%11C(O)=C(O)C=C(C(=O)OC7C%12OC8OC(=O)C%13=CC(O)=C(O)C(O)=C%13C%14=C(O)C(O)=C(O)C=C%14C(=O)OC%12)C%11C9C%10(O)O)=C5)C(OC(=O)C%15=CC(O)=C(O)C(O)=C%15)C2OC(=O)C%16=CC(O)=C(O)C(O)=C%16

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Euphorbia jolkinii

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Tannins and related compounds. CV. Monomeric and dimeric hydrolyzable tannins having a dehydrohexahydroxydiphenoyl group, supinanin, euphorscopin, euphorhelin and jolkianin, from euphorbia species.

Identifiers

InChI=1S/C82H56O53/c83-26-1-16(2-27(84)47(26)95)69(109)127-62-38-14-122-72(112)19-7-31(88)50(98)56(104)41(19)43-21(9-33(90)52(100)58(43)106)75(115)133-79(125-38)67(65(62)129-70(110)17-3-28(85)48(96)29(86)4-17)131-71(111)18-5-30(87)49(97)37(6-18)124-61-25(12-35(92)54(102)60(61)108)78(118)130-66-63-39-15-123-73(113)20-8-32(89)51(99)57(105)42(20)44-22(10-34(91)53(101)59(44)107)76(116)134-80(126-39)68(66)132-77(117)24-13-40(94)82(121)81(119,120)46(24)45-23(74(114)128-63)11-36(93)55(103)64(45)135-82/h1-13,38-39,46,62-63,65-68,79-80,83-93,95-108,119-121H,14-15H2

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RXQGHMKIXFUZNT-UHFFFAOYSA-N

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15 September 2022

matched by identifier from

RXQGHMKIXFUZNT-UHFFFAOYSA-N

UniChem compound ID

1 reference

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