(Q104994692)

English

(4S,4aR,5S,8aR)-4-ethoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-ethoxy-3,4a,5-trimethyl-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan

1 reference

based on heuristic

inferred from SMILES

mass

262.193280072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₆O₂

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canonical SMILES

O1C=C(C2=C1CC3CCCC(C)C3(C)C2OCC)C

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isomeric SMILES

CCO[C@@H]1c2c(C)coc2C[C@H]2CCC[C@H](C)[C@@]12C

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found in taxon

Ligularia lamarum

1 reference

stated in

Overlapping chemical and genetic diversity in Ligularia lamarum and Ligularia subspicata. Isolation of ten new eremophilanes and a new seco-bakkane compound

Camptacra gracilis

1 reference

stated in

Isolation of new eremophilane-type sesquiterpenoids, subspicatins A–D and subspicatolide from Ligularia subspicata, and chemical and genetic diversity of the species

Ligularia subspicata

1 reference

stated in

Isolation of new eremophilane-type sesquiterpenoids, subspicatins A–D and subspicatolide from Ligularia subspicata, and chemical and genetic diversity of the species

Ligularia vellerea

1 reference

stated in

Chemical and genetic diversity of Ligularia vellerea in Yunnan, China

Ligularia virgaurea

1 reference

stated in

Chemical constituents of Ligularia virgaurea and its diversity in southwestern Sichuan of China

Identifiers

InChI

InChI=1S/C17H26O2/c1-5-18-16-15-11(2)10-19-14(15)9-13-8-6-7-12(3)17(13,16)4/h10,12-13,16H,5-9H2,1-4H3/t12-,13+,16+,17+/m0/s1

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InChIKey

FFUWAMHKUYRIBZ-NSNWQYSKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FFUWAMHKUYRIBZ-NSNWQYSKSA-N

(Q104994692)

(4S,4aR,5S,8aR)-4-ethoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran

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