(Q115971557)

English

[(1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,15-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-14-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

598.262541404 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₁₃

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canonical SMILES

O=C(OC1(C(=O)C(O)C2C3(C(=O)C(OC)=CC(C)C3CC4OC(OC5OC(CO)C(O)C(O)C5O)CC1C42C)C)C)C

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isomeric SMILES

COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@@H]4[C@@]3(C)[C@H]([C@H](O)C(=O)[C@@]4(C)OC(C)=O)[C@@]2(C)C1=O

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found in taxon

Picrasma quassioides

1 reference

stated in

Quassinoids from Picrasma quassioides and Their Neuroprotective Effects

Identifiers

InChI

InChI=1S/C29H42O13/c1-11-7-14(38-6)24(36)27(3)13(11)8-17-28(4)16(29(5,42-12(2)31)25(37)22(35)23(27)28)9-18(40-17)41-26-21(34)20(33)19(32)15(10-30)39-26/h7,11,13,15-23,26,30,32-35H,8-10H2,1-6H3/t11-,13+,15-,16-,17-,18+,19-,20+,21-,22+,23-,26+,27+,28-,29+/m1/s1

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InChIKey

DNKBVIFTJDUGNU-IUFAESKQSA-N

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1 reference

3 January 2023

inferred from InChIKey

1 reference

(Q115971557)

[(1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,15-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-14-yl] acetate

Statements

Identifiers

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