(Q105305722)

English

WHRCNNRYUKTGTC-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₈₉H₅₈O₅₇

In more languages

Statements

group of stereoisomers

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chemical compound

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2,038.163985196 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈₉H₅₈O₅₇

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canonical SMILES

O=C(O)C1=CC(O)=C(O)C(OC=2C(O)=C(O)C(O)=C3C2C(=O)OC4C(OC(OC(=O)C5=CC(O)=C(O)C(OC=6C(O)=C(O)C(O)=C7C6C(=O)OC8C(OC(OC(=O)C9=CC(O)=C(O)C(O)=C9)C%10OC(=O)C%11=CC(O)=C(O)C(O)=C%11C%12=C(O)C(O)=C(O)C=C%12C(=O)OC%108)COC(=O)C%13=CC(O)=C(O)C(O)=C%137)=C5)C%14OC(=O)C%15=CC(O)=C(O)C(O)=C%15C%16=C(O)C(O)=C(O)C=C%16C(=O)OC%144)COC(=O)C%17=CC(O)=C(O)C(O)=C%173)=C1

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1 reference

Tannins and Related Polyphenols of Rosaceous Medicinal Plants. XII. Roshenins A-E, Dimeric Hydrolyzable Tannins from Rosa henryi Boul.

Identifiers

InChI=1S/C89H58O57/c90-24-2-16(3-25(91)48(24)100)78(123)145-88-75-73(141-82(127)20-9-30(96)51(103)57(109)38(20)40-22(84(129)143-75)11-32(98)53(105)59(40)111)69-36(137-88)13-133-81(126)19-8-29(95)56(108)62(114)43(19)45-47(87(132)140-69)72(68(120)66(118)64(45)116)136-35-6-17(4-27(93)50(35)102)79(124)146-89-76-74(142-83(128)21-10-31(97)52(104)58(110)39(21)41-23(85(130)144-76)12-33(99)54(106)60(41)112)70-37(138-89)14-134-80(125)18-7-28(94)55(107)61(113)42(18)44-46(86(131)139-70)71(67(119)65(117)63(44)115)135-34-5-15(77(121)122)1-26(92)49(34)101/h1-12,36-37,69-70,73-76,88-120H,13-14H2,(H,121,122)

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WHRCNNRYUKTGTC-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

WHRCNNRYUKTGTC-UHFFFAOYSA-N

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