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6beta,8beta-Dihydroxyeremophilenolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6beta,8betaOH)-6,8-Dihydroxy-7(11)-eremophilen-12,8-olide
1 reference
based on heuristic
inferred from SMILES
mass
266.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4S,4aR,5S,8aR,9aR)-4,9a-dihydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4S,4aR,5S,8aS,9aS)-4,9a-dihydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₄
0 references
canonical SMILES
O=C1OC2(O)C(=C1C)C(O)C3(C)C(C)CCCC3C2
0 references
isomeric SMILES
C[C@H]1CCC[C@H]2[C@@]1([C@@H](C3=C(C(=O)O[C@]3(C2)O)C)O)C
0 references
found in taxon
Ligularia fauriei
2 references
stated in
New Sesquiterpene Lactones of Eremophilane-Type fromLigularia Fauriei(FR.) Koidz.
stated in
New eremophilane-type lactones from Ligularia Fauriei (Fr) Koidz.
Ligularia fischerii
1 reference
stated in
Eremophilenolides from Ligularia fischeri
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
Eremophilane‐Type Sesquiterpenes from the Roots ofLigularia virgaurea
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/C15H22O4/c1-8-5-4-6-10-7-15(18)11(9(2)13(17)19-15)12(16)14(8,10)3/h8,10,12,16,18H,4-7H2,1-3H3/t8-,10+,12+,14+,15-/m0/s1
0 references
InChIKey
HOZOKRDCQVUMIA-BDUWQXIASA-N
0 references
CAS Registry Number
107693-94-7
0 references
PubChem CID
181196
1 reference
matched by identifier from
InChIKey
InChIKey
HOZOKRDCQVUMIA-BDUWQXIASA-N
UniChem compound ID
55622468
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60910494
1 reference
matched by identifier from
InChIKey
InChIKey
HOZOKRDCQVUMIA-BDUWQXIASA-N
DSSTOX compound identifier
DTXCID801339541
0 references
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