(Q105116803)

English

(3aR,4R,6Z,10E,11aR)-10-methyl-4-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

10-Methyl-4-(2-methylbut-2-enoyloxy)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

(4R,11aS)-10-methyl-4-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carboxylic acid

1 reference

1 reference

360.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,4S,6Z,10E,11aR)-10-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

1 reference

based on heuristic

inferred from InChIKey

(3aS,4S,6Z,10E,11aR)-10-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,4R,6E,10E,11aS)-10-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(3aR,4R,11aR)-10-methyl-4-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₆

0 references

canonical SMILES

O=C(O)C1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(=CC)C)C1)C

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isomeric SMILES

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

0 references

found in taxon

Blainvillea dichotoma

1 reference

stated in

Sesquiterpene lactones in Blainvillea rhomboidea

Blainvillea rhomboidea

1 reference

stated in

Sesquiterpene lactones in Blainvillea rhomboidea

Campovassouria cruciata

1 reference

stated in

8β-Tigloylguaiagrazielolide from Campovassouria bupleurifolia

Stevia amambayensis

1 reference

stated in

Melampolides and germacranolides from Stevia amambayensis

Identifiers

InChI

InChI=1S/C20H24O6/c1-5-12(3)19(23)25-16-10-14(18(21)22)8-6-7-11(2)9-15-17(16)13(4)20(24)26-15/h5,8-9,15-17H,4,6-7,10H2,1-3H3,(H,21,22)/b11-9+,12-5+,14-8-/t15-,16-,17+/m1/s1

0 references

InChIKey

IOPBGRHISQTQKP-SCSLQUBESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IOPBGRHISQTQKP-SCSLQUBESA-N

(Q105116803)

(3aR,4R,6Z,10E,11aR)-10-methyl-4-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

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Identifiers

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