(Q105384110)

English

ZUUBAZCPNZSNGL-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₈H₄₈O₄₅

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Statements

group of stereoisomers

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chemical compound

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1,584.1467594359979 dalton

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based on heuristic

inferred from InChI

chemical formula

C₆₈H₄₈O₄₅

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canonical SMILES

O=C1OCC2OC(O)C3OC(=O)C4=CC(=O)C(O)(O)C5(O)OC=6C(O)=C7C(=CC6OC45)C(=O)OCC8OC(O)C(OC(=O)C9=CC(O)=C(O)C(O)=C9OC=%10C=C(C(=O)OC2C3OC(=O)C%11=CC(O)=C(O)C(O)=C%11)C(=C(O)C%10O)C%12=C(O)C(O)=C(O)C=C1%12)C(OC(=O)C%13=CC(O)=C(O)C(O)=C%13)C8OC(=O)C%14=CC(O)=C(O)C(O)=C%147

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Identifiers

InChI=1S/C68H48O45/c69-21-1-13(2-22(70)37(21)77)57(88)109-52-50-31-12-102-60(91)17-9-29-49(46(86)36(17)34-16(61(92)107-50)6-26(74)40(80)44(34)84)113-68(100)56(104-29)20(10-32(76)67(68,98)99)64(95)112-55-53(110-58(89)14-3-23(71)38(78)24(72)4-14)51-30(106-66(55)97)11-101-59(90)15-5-25(73)39(79)43(83)33(15)35-18(62(93)108-51)8-28(42(82)45(35)85)103-48-19(7-27(75)41(81)47(48)87)63(94)111-54(52)65(96)105-31/h1-10,30-31,50-56,65-66,69-75,77-87,96-100H,11-12H2

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ZUUBAZCPNZSNGL-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

ZUUBAZCPNZSNGL-UHFFFAOYSA-N

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