(Q105263809)

English

(1S,4R,5R,6S,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6-(hydroxymethyl)-14,18-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione

chemical compound

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instance of

type of chemical entity

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subclass of

4,5,17-trihydroxy-6-(hydroxymethyl)-14,18-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione

1 reference

based on heuristic

inferred from SMILES

mass

572.210505832 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₁₄

0 references

canonical SMILES

O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C5(O)OCC24C(C1OC6OC(CO)C(O)C(O)C6O)C(CO)C5O)C

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isomeric SMILES

CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]3[C@@H](CO)[C@@H](O)[C@]4(O)OC[C@@]31[C@@H]24

0 references

found in taxon

Quassia undulata

2 references

stated in

Two quassinoid glycosides and a β-carboline-1-propionic acid from hannoa klaineana

stated in

Indole Alkaloids and Quassin from Quassia africana

Odyendyea klaineana

2 references

stated in

Two quassinoid glycosides and a β-carboline-1-propionic acid from hannoa klaineana

stated in

Indole Alkaloids and Quassin from Quassia africana

Identifiers

InChI

InChI=1S/C26H36O14/c1-8-3-11(29)20(34)24(2)10(8)4-13-25-7-37-26(36,23(24)25)19(33)9(5-27)14(25)18(21(35)39-13)40-22-17(32)16(31)15(30)12(6-28)38-22/h3,9-10,12-20,22-23,27-28,30-34,36H,4-7H2,1-2H3/t9-,10+,12-,13-,14-,15-,16+,17-,18-,19-,20-,22+,23-,24-,25+,26+/m1/s1

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InChIKey

SYVOZHUKDPLDTP-AHHZTHGVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105263809)

(1S,4R,5R,6S,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6-(hydroxymethyl)-14,18-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione

Statements

Identifiers

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