(Q105314889)

English

WXRJTVAVFCHVOM-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₇₅H₅₀O₄₈

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Statements

group of stereoisomers

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chemical compound

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1,718.14715336 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₇₅H₅₀O₄₈

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canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(OC=4C(O)=C(O)C(O)=C5C4C(=O)OC6C(OC(O)C7OC(=O)C8=CC(O)=C(O)C(O)=C8C9=C(O)C(O)=C(O)C=C9C(=O)OC76)COC(=O)C%10=CC(O)=C(O)C(O)=C%105)=C3)C%11OC(=O)C%12=CC(O)=C(O)C(O)=C%12C%13=C(O)C(O)=C(O)C=C%13C(=O)OC%11C2OC(=O)C%14=CC(O)=C(O)C(O)=C%14C%15=C(O)C(O)=C(O)C=C1%15

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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/C75H50O48/c76-20-1-12(65(102)123-75-64-62(120-70(107)17-7-25(81)44(88)51(95)34(17)36-19(72(109)122-64)9-27(83)46(90)53(36)97)59-30(116-75)11-113-66(103)13-3-21(77)41(85)48(92)31(13)32-15(68(105)117-59)5-23(79)42(86)49(32)93)2-28(40(20)84)114-60-39-38(55(99)56(100)57(60)101)37-14(4-22(78)47(91)54(37)98)67(104)112-10-29-58(118-73(39)110)61-63(74(111)115-29)121-71(108)18-8-26(82)45(89)52(96)35(18)33-16(69(106)119-61)6-24(80)43(87)50(33)94/h1-9,29-30,58-59,61-64,74-101,111H,10-11H2

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WXRJTVAVFCHVOM-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

WXRJTVAVFCHVOM-UHFFFAOYSA-N

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