(Q105283136)

English

[(1S,2S,3S,4R,8S,9S,10R,12R)-3-hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.02,10.04,8]pentadecan-9-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3-Hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.02,10.04,8]pentadecan-9-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

3-hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadecan-9-yl (2Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,3R,4S,8S,9R,10S,12S)-3-hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.02,10.04,8]pentadecan-9-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,3R,4S,8S,9R,10S,12S)-3-hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.02,10.04,8]pentadecan-9-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₇

0 references

canonical SMILES

O=C1OC2C(O)C3(C)C4OC(OC4)C(=C)C3C(OC(=O)C(=CC)C)C2C1=C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@H]1C(=C)[C@@H]3OC[C@@H](O3)[C@]1(C)[C@@H]2O

0 references

found in taxon

Zinnia peruviana

1 reference

stated in

Elemanolides from Zinnia peruviana

Identifiers

InChI

InChI=1S/C20H24O7/c1-6-8(2)17(22)26-14-12-9(3)18(23)27-15(12)16(21)20(5)11-7-24-19(25-11)10(4)13(14)20/h6,11-16,19,21H,3-4,7H2,1-2,5H3/b8-6+/t11-,12+,13-,14-,15-,16-,19-,20+/m1/s1

0 references

InChIKey

VBBKEDBHUOQVKR-HGKQAZBQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VBBKEDBHUOQVKR-HGKQAZBQSA-N

(Q105283136)

[(1S,2S,3S,4R,8S,9S,10R,12R)-3-hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.02,10.04,8]pentadecan-9-yl] (E)-2-methylbut-2-enoate

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