(Q104667359)

English

CID 338147

group of stereoisomers with the chemical formula C₄₁H₂₈O₂₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

952.081795636 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₁H₂₈O₂₇

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canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C4OC(=O)C5=CC(O)=C(O)C=6OC7(O)C(=O)C=C(C(=O)OC2C4OC(=O)C8=CC(O)=C(O)C(O)=C8C=9C(O)=C(O)C(O)=CC19)C(C65)C7(O)O

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isomeric SMILES

O=C1OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c4c2[C@@H]2C1=CC(=O)[C@](O)(O4)C2(O)O)C(OC(=O)c1cc(O)c(O)c(O)c1)O3

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found in taxon

Acalypha indica

1 reference

stated in

Phenolics fromAcalypha indica

Identifiers

InChI

InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18?,23-,30?,32?,33?,39?,41-/m0/s1

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InChIKey

JQQBXPCJFAKSPG-CFJALHDPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JQQBXPCJFAKSPG-CFJALHDPSA-N

1 reference

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