(Q104920765)

English

[(4S,4aR,5S,8S,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] 2-methylpropanoate

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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334.178023932 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

[(4S,4aR,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₅

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canonical SMILES

O=C(OC1C2=C(OC=C2C)C(=O)C3C(O)CCC(C)C13C)C(C)C

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isomeric SMILES

Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@@H]1C2=O

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Senecio chionophilus

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Constituents of Senecio chionophilus with potential antitubercular activity

Identifiers

InChI=1S/C19H26O5/c1-9(2)18(22)24-17-13-10(3)8-23-16(13)15(21)14-12(20)7-6-11(4)19(14,17)5/h8-9,11-12,14,17,20H,6-7H2,1-5H3/t11-,12-,14+,17+,19+/m0/s1

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AXTBBOHGQOEWMH-WUXJWGNOSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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