(Q105176559)

English

(3aS,5R,5aR,7S,8aS,9aR)-5-(chloromethyl)-5,7,8a-trihydroxy-1-methyl-8-methylidene-1,3a,4,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-2-one

group of stereoisomers with the chemical formula C₁₅H₂₁ClO₅

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Statements

group of stereoisomers

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guaiane sesquiterpenoid

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guaiane sesquiterpenoid

316.107751452 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₁ClO₅

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canonical SMILES

O=C1OC2CC(O)(CCl)C3CC(O)C(=C)C3(O)CC2C1C

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isomeric SMILES

C=C1[C@@H](O)C[C@@H]2[C@@]1(O)C[C@@H]1C(C)C(=O)O[C@H]1C[C@]2(O)CCl

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Arctotis fastuosa

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Guaianolides from Venidium fastuosum

Identifiers

InChI=1S/C15H21ClO5/c1-7-9-4-15(20)8(2)10(17)3-12(15)14(19,6-16)5-11(9)21-13(7)18/h7,9-12,17,19-20H,2-6H2,1H3/t7?,9-,10+,11+,12+,14+,15-/m1/s1

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NAVPGMZDCRNXQS-GMUQWCIUSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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