(Q105283738)

English

[(4R,5S,8R,8aS)-8a-hydroxy-3,8-dimethyl-2-oxo-5-prop-1-en-2-yl-1,4,5,6,7,8-hexahydroazulen-4-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

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guaiane sesquiterpenoid

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292.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₄O₄

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canonical SMILES

O=C(OC1C2=C(C(=O)CC2(O)C(C)CCC1C(=C)C)C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@@H](C)[C@@]2(O)CC(=O)C(C)=C2[C@@H]1OC(C)=O

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Pleocarphus revolutus

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Isocedrene and Guaiane Derivatives from Pleocarphus revolutus

Identifiers

InChI=1S/C17H24O4/c1-9(2)13-7-6-10(3)17(20)8-14(19)11(4)15(17)16(13)21-12(5)18/h10,13,16,20H,1,6-8H2,2-5H3/t10-,13+,16-,17+/m1/s1

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VCJVMBMZJBVIHJ-SDNRIPMJSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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