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(Q104915240)
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Ligularol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Petasalbin
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4R,4aR,5S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
OC1C=2C(=COC2CC3CCCC(C)C13C)C
0 references
isomeric SMILES
Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CCC[C@@H]1C2
0 references
found in taxon
Gynoxys dielsiana
1 reference
stated in
Neue furanoeremophilane aus Gynoxys dielsiana
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
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
Petasites albus
1 reference
stated in
Analytic investigations of sesquiterpenes of Petasites albus (L.) GAERTN
Identifiers
InChI
InChI=1S/C15H22O2/c1-9-8-17-12-7-11-6-4-5-10(2)15(11,3)14(16)13(9)12/h8,10-11,14,16H,4-7H2,1-3H3/t10-,11+,14+,15+/m0/s1
0 references
InChIKey
ANKFPIBCTISOBX-RBDSIQFVSA-N
0 references
CAS Registry Number
4176-11-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
383983
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ANKFPIBCTISOBX-RBDSIQFVSA-N
UniChem compound ID
27263922
1 reference
stated in
UniChem
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