(Q105232431)

English

[(1S,2R,4R,7R,8E,11R,13S)-15-(acetyloxymethyl)-8-ethylidene-7-hydroxy-4,11-dimethyl-9,16-dioxo-3,10,17-trioxatetracyclo[12.3.0.02,4.07,11]heptadec-14-en-13-yl] 2-(hydroxymethyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[15-(Acetyloxymethyl)-8-ethylidene-7-hydroxy-4,11-dimethyl-9,16-dioxo-3,10,17-trioxatetracyclo[12.3.0.02,4.07,11]heptadec-14-en-13-yl] 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

506.17881178 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4R,7R,8Z,11R,13S)-15-(acetyloxymethyl)-8-ethylidene-7-hydroxy-4,11-dimethyl-9,16-dioxo-3,10,17-trioxatetracyclo[12.3.0.02,4.07,11]heptadec-14-en-13-yl] 2-(hydroxymethyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₁₁

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2C3OC3(C)CCC4(O)C(=CC)C(=O)OC4(C)C1)COC(=O)C)C(=C)CO

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isomeric SMILES

C=C(CO)C(=O)O[C@H]1C[C@@]2(C)OC(=O)/C(=C/C)[C@]2(O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12

0 references

found in taxon

Jeffreycia zanzibarensis

1 reference

stated in

Glaucolides from old world Vernonia species

Identifiers

InChI

InChI=1S/C25H30O11/c1-6-15-22(30)36-24(5)9-16(33-20(28)12(2)10-26)17-14(11-32-13(3)27)21(29)34-18(17)19-23(4,35-19)7-8-25(15,24)31/h6,16,18-19,26,31H,2,7-11H2,1,3-5H3/b15-6-/t16-,18-,19+,23+,24+,25+/m0/s1

0 references

InChIKey

QZXDGSWUCXEIEC-ILHFDYEVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QZXDGSWUCXEIEC-ILHFDYEVSA-N

(Q105232431)

[(1S,2R,4R,7R,8E,11R,13S)-15-(acetyloxymethyl)-8-ethylidene-7-hydroxy-4,11-dimethyl-9,16-dioxo-3,10,17-trioxatetracyclo[12.3.0.02,4.07,11]heptadec-14-en-13-yl] 2-(hydroxymethyl)prop-2-enoate

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