(Q105321943)

English

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

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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330.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6alpha-Angeloyloxy-10betaH-furanoeremophil-1-one

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based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₄

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canonical SMILES

O=C(OC1C2=C(OC=C2C)CC3C(=O)CCC(C)C13C)C(=CC)C

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isomeric SMILES

CC=C(C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@]21C

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Ligularia macrophylla

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Eremophilane sesquiterpenes from Ligularia macrophylla

Identifiers

InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-15(21)8-7-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/t13-,14-,18-,20+/m0/s1

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WXXUTDJJIXJPLZ-GCYDMZABSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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