(Q115951715)

English

[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] 2-methylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5,16-Diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

686.257456024 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₂O₁₄

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(C)(C)C(CC(=O)OC)C2(C(=O)C3C(=C)C4(OC12)C(OC(=O)C)C(=O)OC(C5=COC=C5)C4(C)C3O)C)C(=C)C

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isomeric SMILES

C=C(C)C(=O)O[C@H]1[C@H](OC(C)=O)C(C)(C)[C@H](CC(=O)OC)[C@@]2(C)C(=O)[C@@H]3C(=C)[C@@]4(O[C@@H]12)[C@H](OC(C)=O)C(=O)O[C@@H](c1ccoc1)[C@]4(C)[C@H]3O

0 references

found in taxon

Santol

1 reference

stated in

Modified limonoids from the leaves of Sandoricum koetjape

Identifiers

InChI

InChI=1S/C35H42O14/c1-15(2)30(41)47-23-27(45-17(4)36)32(6,7)20(13-21(38)43-10)33(8)24(39)22-16(3)35(49-28(23)33)29(46-18(5)37)31(42)48-26(19-11-12-44-14-19)34(35,9)25(22)40/h11-12,14,20,22-23,25-29,40H,1,3,13H2,2,4-10H3/t20-,22-,23-,25-,26-,27-,28-,29+,33-,34-,35+/m0/s1

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InChIKey

QGHREOOLOVVJJM-AXEVETQCSA-N

0 references

1 reference

4 January 2023

inferred from InChIKey

KNApSAcK ID

C00057570

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QGHREOOLOVVJJM-AXEVETQCSA-N

(Q115951715)

[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] 2-methylprop-2-enoate

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Identifiers

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