(Q105254930)

English

SKNJVQANQBBHQW-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₆H₈₄O₃₈

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

1,484.4640582479985 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆₆H₈₄O₃₈

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canonical SMILES

O=C(OCC1(OC2OC(COC(=O)C)C(OC(=O)C=CC3=CC=C(OC4OC(C)C(O)C(O)C4O)C(OC)=C3)C(OC5OC(COC(=O)C)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C2OC7OC(CO)C(O)C(O)C7O)OC(CO)C(O)C1OC(=O)C=8C=CC=CC8)C=CC9=CC=C(O)C=C9

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Identifiers

InChI=1S/C66H84O38/c1-27-43(75)48(80)51(83)61(92-27)93-34-17-12-31(20-35(34)88-4)14-19-42(74)98-55-40(25-90-29(3)71)97-65(104-66(26-91-41(73)18-13-30-10-15-33(72)16-11-30)59(47(79)38(23-69)103-66)102-60(87)32-8-6-5-7-9-32)58(101-63-53(85)50(82)45(77)37(22-68)95-63)57(55)100-64-54(86)56(46(78)39(96-64)24-89-28(2)70)99-62-52(84)49(81)44(76)36(21-67)94-62/h5-20,27,36-40,43-59,61-65,67-69,72,75-86H,21-26H2,1-4H3

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SKNJVQANQBBHQW-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

SKNJVQANQBBHQW-UHFFFAOYSA-N

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