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(Q82907601)
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English
(3R,4aR,6aS,10aS,10bR)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3R,10bR)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-one
1 reference
based on heuristic
inferred from SMILES
(3R,4aS,6aR,10aS)-3-ethyl-5,10b-dimethyl-3H,4H,4aH,6aH,7H,8H,9H,10H,10aH-naphtho[1,2-c]pyran-1-one
1 reference
based on heuristic
inferred from SMILES
mass
262.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,4aS,6aR,10aS,10bS)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₆O₂
0 references
canonical SMILES
O=C1OC(CC)CC2C(=CC3CCCCC3C12C)C
0 references
isomeric SMILES
CC[C@@H]1C[C@@H]2C(=C[C@@H]3CCCC[C@@H]3[C@]2(C(=O)O1)C)C
0 references
found in taxon
Streptomyces
4 references
stated in
PI-200 and PI-201, new platelet aggregation inhibitors produced by Streptomyces sp. A7498. Taxonomy, fermentation, isolation, physico-chemical properties, structure determination and biological properties.
stated in
PI-200 and PI-201, new platelet aggregation inhibitors produced by Streptomyces sp. A7498. Taxonomy, fermentation, isolation, physico-chemical properties, structure determination and biological properties.
stated in
PI-200 and PI-201, new platelet aggregation inhibitors produced by Streptomyces sp. A7498. Taxonomy, fermentation, isolation, physico-chemical properties, structure determination and biological properties.
stated in
PI-200 and PI-201, new platelet aggregation inhibitors produced by Streptomyces sp. A7498. Taxonomy, fermentation, isolation, physico-chemical properties, structure determination and biological properties.
Identifiers
InChI
InChI=1S/C17H26O2/c1-4-13-10-15-11(2)9-12-7-5-6-8-14(12)17(15,3)16(18)19-13/h9,12-15H,4-8,10H2,1-3H3/t12-,13+,14-,15+,17+/m0/s1
0 references
InChIKey
DOVJKETUGTWKML-LVNYTYFRSA-N
0 references
CAS Registry Number
143605-57-6
0 references
PubChem CID
126751
1 reference
matched by identifier from
InChIKey
InChIKey
DOVJKETUGTWKML-LVNYTYFRSA-N
ChEBI ID
204960
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H26O2/c1-4-13-10-15-11(2)9-12-7-5-6-8-14(12)17(15,3)16(18)19-13/h9,12-15H,4-8,10H2,1-3H3/t12-,13+,14-,15+,17+/m0/s1
UniChem compound ID
32042259
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60931967
1 reference
matched by identifier from
InChIKey
InChIKey
DOVJKETUGTWKML-LVNYTYFRSA-N
DSSTOX compound identifier
DTXCID301360666
0 references
Natural Product Atlas ID
NPA008148
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DOVJKETUGTWKML-LVNYTYFRSA-N
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