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Istanbulin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4aR,5S,9aR)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-2,8-dione
1 reference
based on heuristic
inferred from SMILES
Istanbulin-A
1 reference
based on heuristic
inferred from SMILES
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4aS,5R,8aS,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-2,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4aR,5S,8aS,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-2,8-dione
1 reference
based on heuristic
inferred from InChI
(4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-2,8-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C1OC2(O)C(=C1C)CC3(C)C(C(=O)CCC3C)C2
0 references
isomeric SMILES
C[C@@H]1CCC(=O)[C@H]2[C@]1(CC3=C(C(=O)O[C@]3(C2)O)C)C
0 references
found in taxon
Smyrnium olusatrum
4 references
stated in
Eremophilenolides as Oxidative Artifacts of Furanoeremophilanes
stated in
Sesquiterpenic lactones from smyrnium olusatrum L. roots
stated in
Structure of istanbulin A and istanbulin B - two sesquiterpenic lactones from Smyrnium olusatrum L.
stated in
Structure of istanbulin A and istanbulin B - two sesquiterpenic lactones from Smyrnium olusatrum L.
Smyrnium perfoliatum
1 reference
stated in
Glechomanolides and eudesmanolides from Smyrnium perfoliatum
Senecio aegyptius
1 reference
stated in
Eremophilane-Type Sesquiterpene Derivatives from Senecio aegyptius Var. discoideus
Senecio bracteolatus
1 reference
stated in
Sesquiterpenes with New Carbon Skeletons, Furoeremophilanes, Secoeremophilanes and other Constituents from Argentinian Senecio Species
Senecio rosmarinus
1 reference
stated in
An eremophilanolide from Senecio rosmarinus
Sarcandra glabra
1 reference
stated in
Two new sesquiterpene lactones from Sarcandra glabra
Identifiers
InChI
InChI=1S/C15H20O4/c1-8-4-5-12(16)11-7-15(18)10(6-14(8,11)3)9(2)13(17)19-15/h8,11,18H,4-7H2,1-3H3/t8-,11+,14+,15+/m1/s1
0 references
InChIKey
HYBIDSYXKTYHCM-BXLXJPJESA-N
0 references
CAS Registry Number
35481-83-5
1 reference
InChIKey
HYBIDSYXKTYHCM-BXLXJPJESA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=35481-83-5
PubChem CID
3082428
0 references
ChEBI ID
174481
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
63450081
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90956885
0 references
DSSTOX compound identifier
DTXCID401384837
0 references
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