(Q105196128)

English

[(3S,3aR,4S,6R,6aS,9R,9aS,9bS)-6,6a,9-trihydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₂₀H₃₀O₇

In more languages

Statements

group of stereoisomers

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guaiane sesquiterpenoid

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guaiane sesquiterpenoid

382.1991533 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₇

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canonical SMILES

O=C(OC1CC(O)(C)C2(O)C=CC(O)(C)C2C3OC(=O)C(C)C13)C(C)CC

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isomeric SMILES

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

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Otanthus maritimus

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Highly oxygenated guaianolides from Otanthus maritimus

Identifiers

InChI=1S/C20H30O7/c1-6-10(2)16(21)26-12-9-19(5,24)20(25)8-7-18(4,23)15(20)14-13(12)11(3)17(22)27-14/h7-8,10-15,23-25H,6,9H2,1-5H3/t10?,11-,12-,13+,14-,15-,18+,19+,20-/m0/s1

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OPGJIRGRIDHFPI-KYLBNMPHSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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