(Q105223904)

English

[(3aR,4R,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (3R)-3-hydroxy-2-methylidenebutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 3-hydroxy-2-methylidenebutanoate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

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canonical SMILES

O=C(OC1CC(O)(C)C2CC=C(C)C2C3OC(=O)C(=C)C13)C(=C)C(O)C

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isomeric SMILES

C=C(C(=O)O[C@@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](C)O

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found in taxon

Helianthus maximiliani

1 reference

stated in

Sesquiterpene lactones from a texas population of Helianthus maximiliani

Identifiers

InChI

InChI=1S/C20H26O6/c1-9-6-7-13-15(9)17-16(11(3)19(23)26-17)14(8-20(13,5)24)25-18(22)10(2)12(4)21/h6,12-17,21,24H,2-3,7-8H2,1,4-5H3/t12-,13-,14-,15+,16-,17-,20-/m1/s1

0 references

InChIKey

QMBUSVJDHSRQQH-HLVUYRRWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QMBUSVJDHSRQQH-HLVUYRRWSA-N

(Q105223904)

[(3aR,4R,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (3R)-3-hydroxy-2-methylidenebutanoate

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Identifiers

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