(Q105185700)

English

Rivulotririn B

group of stereoisomers with the chemical formula C₄₈H₄₂O₁₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

858.252370644 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₄₂O₁₅

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canonical SMILES

O=C1OC2=C(OCC(OC(C)(C)C(O)COC=3C=4OC=CC4C=C5C=CC6(OC35)OC(COC=7C=8OC=CC8C=C9C=CC(=O)OC79)C(O6)(C)C)C(=C)C)C=%10OC=CC%10C=C2C=C1

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isomeric SMILES

C=C(C)C(COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)C(O)COc1c2c(cc3ccoc13)C=C[C@@]1(O2)OC(COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1

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found in taxon

Pleurospermum rivulorum

1 reference

stated in

Rivulotririns A and B from Pleurospermum rivulorum.

Identifiers

InChI

InChI=1S/C48H42O15/c1-25(2)32(22-55-43-37-29(12-16-52-37)19-26-7-9-35(50)58-40(26)43)60-46(3,4)33(49)23-56-45-39-31(14-18-54-39)21-28-11-15-48(62-42(28)45)61-34(47(5,6)63-48)24-57-44-38-30(13-17-53-38)20-27-8-10-36(51)59-41(27)44/h7-21,32-34,49H,1,22-24H2,2-6H3/t32?,33?,34?,48-/m0/s1

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InChIKey

NTWDPJZQXCEWOS-XLJBUJBNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NTWDPJZQXCEWOS-XLJBUJBNSA-N

1 reference

(Q105185700)

Rivulotririn B

Statements

Identifiers

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