(Q105254134)

English

(4S,4aS,5S,8aS)-4-methoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-ol

chemical compound

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type of chemical entity

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subclass of

4-Methoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-ol

1 reference

based on heuristic

inferred from SMILES

mass

264.172544628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₄O₃

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canonical SMILES

OC12CC=3OC=C(C3C(OC)C2(C)C(C)CCC1)C

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isomeric SMILES

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

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found in taxon

Farfugium japonicum

1 reference

stated in

New eremophilanes from Farfugium japonicum

Ligularia kanaitzensis

1 reference

stated in

Diversity of Ligularia kanaitzensis in sesquiterpenoid composition and neutral DNA sequences

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

Identifiers

InChI

InChI=1S/C16H24O3/c1-10-9-19-12-8-16(17)7-5-6-11(2)15(16,3)14(18-4)13(10)12/h9,11,14,17H,5-8H2,1-4H3/t11-,14+,15-,16-/m0/s1

0 references

InChIKey

SIYTYNVDUNLHNR-MWNCTCPHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SIYTYNVDUNLHNR-MWNCTCPHSA-N

ChEBI ID

228944

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C16H24O3/c1-10-9-19-12-8-16(17)7-5-6-11(2)15(16,3)14(18-4)13(10)12/h9,11,14,17H,5-8H2,1-4H3/t11-,14+,15-,16-/m0/s1

(Q105254134)

(4S,4aS,5S,8aS)-4-methoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-ol

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