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(Q83059847)
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Arnicolide D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylprop-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
332.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₄O₅
0 references
canonical SMILES
O=C(OC1C2C(OC(=O)C2C)CC(C)C3C=CC(=O)C13C)C(=C)C
0 references
isomeric SMILES
C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C(=C)C
0 references
found in taxon
Arnica montana
2 references
stated in
On terpenes. CCIX. Arnicolides - sesquiterpenic lactones from the leaves of Arnica montana L.
stated in
On terpenes. CCIX. Arnicolides - sesquiterpenic lactones from the leaves of Arnica montana L.
Arnica acaulis
1 reference
stated in
Sesquiterpene lactones and other constituents of Arnica acaulis
Centipeda minima
1 reference
stated in
Antibacterial constituents of the Nepalese medicinal herb, Centipeda minima
Monactis macbridei
1 reference
stated in
Pseudoguajanolide und andere Sesquiterpene ausMonactis macbridei
Identifiers
InChI
InChI=1S/C19H24O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,10-13,15-16H,1,8H2,2-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1
0 references
InChIKey
NZESEVTYUVXOTC-APDQSUQKSA-N
0 references
CAS Registry Number
34532-68-8
1 reference
InChIKey
NZESEVTYUVXOTC-APDQSUQKSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=34532-68-8
PubChem CID
182199
1 reference
matched by identifier from
InChIKey
InChIKey
NZESEVTYUVXOTC-APDQSUQKSA-N
ChEBI ID
182268
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H24O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,10-13,15-16H,1,8H2,2-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1
UniChem compound ID
43989
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40188078
1 reference
matched by identifier from
InChIKey
InChIKey
NZESEVTYUVXOTC-APDQSUQKSA-N
DSSTOX compound identifier
DTXCID70110569
0 references
Probes And Drugs ID
PD125100
0 references
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