(Q105276486)

English

(3S,4R,5S,6R,7R,16S,17R,18S,19R,20S)-4,5,6,17,18,19-hexahydroxy-13,26,27-trimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(27),11,13,24(28),25,30-hexaene-10,23-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,5,6,17,18,19-Hexahydroxy-13,26,27-trimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaene-10,23-dione

1 reference

based on heuristic

inferred from SMILES

mass

654.179599628 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4R,5R,6S,7R,16S,17R,18S,19S,20R)-4,5,6,17,18,19-hexahydroxy-13,26,27-trimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(27),11,13,24(28),25,30-hexaene-10,23-dione

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₉H₃₄O₁₇

0 references

canonical SMILES

O=C1OCC2OC(OC3=C(OC)C=C(C=C3OC)C(=O)OCC4OC(OC5=CC=C1C=C5OC)C(O)C(O)C4O)C(O)C(O)C2O

0 references

isomeric SMILES

COc1cc2ccc1O[C@@H]1O[C@@H](COC(=O)c3cc(OC)c(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Adina trichotoma

1 reference

stated in

Glycosides from the bark of Adina polycephala

Identifiers

InChI

InChI=1S/C29H34O17/c1-38-14-6-11-4-5-13(14)43-28-23(34)21(32)19(30)17(44-28)10-42-27(37)12-7-15(39-2)25(16(8-12)40-3)46-29-24(35)22(33)20(31)18(45-29)9-41-26(11)36/h4-8,17-24,28-35H,9-10H2,1-3H3/t17-,18+,19-,20-,21-,22-,23+,24+,28+,29-/m0/s1

0 references

InChIKey

UOONOYCRERCRDU-OXIVBJIXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UOONOYCRERCRDU-OXIVBJIXSA-N

(Q105276486)

(3S,4R,5S,6R,7R,16S,17R,18S,19R,20S)-4,5,6,17,18,19-hexahydroxy-13,26,27-trimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(27),11,13,24(28),25,30-hexaene-10,23-dione

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Identifiers

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