(Q105145003)

English

(1R,4R,5R,6R,7R,8R,11R,13S,16S,17S,18S,19R)-4,5,6,7,8,16,17-heptahydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,5,6,7,8,16,17-Heptahydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one

1 reference

based on heuristic

inferred from SMILES

mass

444.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₁₁

0 references

canonical SMILES

O=C1OC2CC3C(=CC(O)C(O)C3(C)C4C5(O)OCC24C(O)(C1O)C(O)(CO)C5O)C

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isomeric SMILES

CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@](O)(CO)[C@@H](O)[C@]4(O)OC[C@]13[C@@H]24

0 references

found in taxon

Eurycoma longifolia

1 reference

stated in

Cytotoxic and antimalarial constituents from the roots of Eurycoma longifolia

Identifiers

InChI

InChI=1S/C20H28O11/c1-7-3-9(22)11(23)16(2)8(7)4-10-17-6-30-19(28,14(16)17)15(26)18(27,5-21)20(17,29)12(24)13(25)31-10/h3,8-12,14-15,21-24,26-29H,4-6H2,1-2H3/t8-,9-,10+,11+,12-,14+,15+,16+,17+,18+,19+,20-/m0/s1

0 references

InChIKey

KRHGIMOWBXXKSA-RONIGYPISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KRHGIMOWBXXKSA-RONIGYPISA-N

(Q105145003)

(1R,4R,5R,6R,7R,8R,11R,13S,16S,17S,18S,19R)-4,5,6,7,8,16,17-heptahydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one

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