(Q105150634)

English

LELFYNPFJFAEND-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₈₂H₅₈O₅₂

In more languages

Statements

group of stereoisomers

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chemical compound

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1,874.189412096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈₂H₅₈O₅₂

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canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3OC=4C=C5C(=O)OCC6OC(OC(=O)C7=CC(O)=C(O)C(O)=C7)C(OC(=O)C8=CC(O)=C(O)C(O)=C8)C(OC(=O)C9=CC(O)=C(O)C(O)=C9)C6OC(=O)C%10=CC(O)=C(O)C(O)=C%10C5=C(O)C4O)C(OC(=O)C%11=CC(O)=C(O)C(O)=C%11)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)C2OC(=O)C%13=CC(O)=C(O)C(O)=C%13C%14=C(O)C(O)=C(O)C=C1%14

0 references

1 reference

Simultaneous determination of hydrolysable tannins in the petals of Rosa rugosa and allied plants

Identifiers

InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(125-81(133-75(116)22-9-36(91)53(101)37(92)10-22)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)17-123-77(118)26-15-42(58(106)62(110)48(26)47-25(79(120)127-65)13-40(95)56(104)61(47)109)124-64-27(14-41(96)57(105)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82)16-122-76(117)23-11-38(93)54(102)59(107)45(23)46-24(78(119)128-66)12-39(94)55(103)60(46)108/h1-15,43-44,65-70,81-111H,16-17H2

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LELFYNPFJFAEND-UHFFFAOYSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

15 September 2022

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

LELFYNPFJFAEND-UHFFFAOYSA-N

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