(Q105162847)

English

(1aR,5R,7S,10aS,10bS)-8-(Acetoxymethyl)-1a,5-dimethyl-7-[(E)-2-methyl-2-butenoyloxy]-2,3,6,7,10a,10b-hexahydrooxireno[9,10]cyclodeca[1,2-b]furan-4,9(1aH,5H)-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[12-(Acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₈

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canonical SMILES

O=C(OC1C2=C(C(=O)OC2C3OC3(C)CCC(=O)C(C)C1)COC(=O)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Stilpnopappus pratensis

1 reference

stated in

Germacranolides from Stilpnopappus species

Stilpnopappus tomentosus

1 reference

stated in

Germacranolides from Stilpnopappus species

Vernonanthura nudiflora

2 references

stated in

Glaucolides and related sesquiterpene lactones from Vernonia nudiflora and Chrysolaena propinqua

stated in

Diterpenes from Vernonanthura amplexicaulis

Identifiers

InChI

InChI=1S/C22H28O8/c1-6-11(2)20(25)28-16-9-12(3)15(24)7-8-22(5)19(30-22)18-17(16)14(21(26)29-18)10-27-13(4)23/h6,12,16,18-19H,7-10H2,1-5H3/b11-6+/t12-,16+,18+,19+,22-/m1/s1

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InChIKey

MFMQQUHMQCGZKX-QEEZBNDESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MFMQQUHMQCGZKX-QEEZBNDESA-N

1 reference

(Q105162847)

(1aR,5R,7S,10aS,10bS)-8-(Acetoxymethyl)-1a,5-dimethyl-7-[(E)-2-methyl-2-butenoyloxy]-2,3,6,7,10a,10b-hexahydrooxireno[9,10]cyclodeca[1,2-b]furan-4,9(1aH,5H)-dione

Statements

Identifiers

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