(Q105304986)

English

2-Butenoic acid, 2-methyl-, (3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester, (2Z)-

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2Z,4S,8R,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2Z,4S,8R,9R,11R,12R)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2Z,4S,8S,9R,11S,12R)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate

1 reference

1 reference

C₂₀H₂₆O₇

0 references

canonical SMILES

O=C(OC1CC2(OC(O)(C(=CC3OC(=O)C(=C)C31)C)CC2O)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(/C)[C@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3

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found in taxon

Dendroviguiera sylvatica

1 reference

stated in

Heliangolides from Viguiera sylvatica

Identifiers

InChI

InChI=1S/C20H26O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h6-7,13-16,21,24H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14-,15+,16+,19-,20+/m1/s1

0 references

InChIKey

WGVJNQGTZSPMCY-HCGNKCLASA-N

0 references

CAS Registry Number

75680-27-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WGVJNQGTZSPMCY-HCGNKCLASA-N

DSSTox substance ID

DTXSID801098804

1 reference

matched by identifier from

InChIKey

WGVJNQGTZSPMCY-HCGNKCLASA-N

(Q105304986)

2-Butenoic acid, 2-methyl-, (3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester, (2Z)-

Statements

Identifiers

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