(Q82876751)

English

6beta-Hydroxyeremophilenolide

chemical compound

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instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,4aS,5R,8aS,9aR)-4-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one

1 reference

based on heuristic

inferred from InChI

(4R,4aR,5S,8aR,9aR)-4-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one

1 reference

based on heuristic

inferred from InChI

(4S)-4a,5,6,7,8,8abeta,9,9aalpha-Octahydro-4beta-hydroxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

1 reference

based on heuristic

inferred from InChI

6alpha-Hydroxyeremophil-7(11)-en-12,8alpha-olide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₃

0 references

canonical SMILES

O=C1OC2C(=C1C)C(O)C3(C)C(C)CCCC3C2

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isomeric SMILES

C[C@H]1CCC[C@H]2[C@@]1([C@@H](C3=C(C(=O)O[C@H]3C2)C)O)C

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found in taxon

Ligularia fischerii

1 reference

stated in

Eremophilenolides from Ligularia fischeri

Ligularia kanaitzensis

1 reference

stated in

Diversity of Ligularia kanaitzensis in sesquiterpenoid composition and neutral DNA sequences

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

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

Ligularia subspicata

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

Ligularia virgaurea

1 reference

stated in

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

Petasites japonicus

3 references

stated in

Eremophilenolides from petasites japonicus

stated in

Anti-histaminic and anti-allergic principles of Petasites japonicus Maxim

stated in

Eremopetasitenin A3 and 8-Oxoeremophil-6-en-12-oic Acid from Petasites japonicus ssp. giganteus

Identifiers

InChI

InChI=1S/C15H22O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h8,10-11,13,16H,4-7H2,1-3H3/t8-,10+,11-,13+,15+/m0/s1

0 references

InChIKey

YDCNBSJHGGIZNP-WGGGYHPKSA-N

0 references

CAS Registry Number

10250-03-0

1 reference

InChIKey

YDCNBSJHGGIZNP-WGGGYHPKSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=10250-03-0

PubChem CID

14866157

1 reference

matched by identifier from

InChIKey

YDCNBSJHGGIZNP-WGGGYHPKSA-N

1 reference

1 reference

matched by identifier from

InChIKey

YDCNBSJHGGIZNP-WGGGYHPKSA-N

DSSTOX compound identifier

DTXCID601336715

0 references

(Q82876751)

6beta-Hydroxyeremophilenolide

Statements

Identifiers

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