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(Q104993750)
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English
Neodactyloquinone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-methoxy-5a,9a,11a-trimethyl-9-methylidene-6,7,8,10,11,12-hexahydro-5bH-5-oxatetraphene-1,4-dione
1 reference
based on heuristic
inferred from SMILES
mass
356.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4aR,6aR,12aR,12bS)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1H-naphtho[1,2-b]chromene-8,11-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₄
0 references
canonical SMILES
O=C1C=C(OC)C(=O)C2=C1OC3(C)C4CCCC(=C)C4(C)CCC3(C)C2
0 references
isomeric SMILES
C=C1CCC[C@@H]2[C@]1(C)CC[C@@]1(C)CC3=C(O[C@@]21C)C(=O)C=C(OC)C3=O
0 references
found in taxon
Dactylospongia elegans
1 reference
stated in
A new sesquiterpenoid quinone and other related compounds from the Okinawan marine sponge Dactylospongia elegans
Identifiers
InChI
InChI=1S/C22H28O4/c1-13-7-6-8-17-21(13,3)10-9-20(2)12-14-18(24)16(25-5)11-15(23)19(14)26-22(17,20)4/h11,17H,1,6-10,12H2,2-5H3/t17-,20+,21-,22+/m1/s1
0 references
InChIKey
FDSDIYQHKYXSBM-YCZSINBZSA-N
0 references
PubChem CID
637868
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FDSDIYQHKYXSBM-YCZSINBZSA-N
UniChem compound ID
359802
1 reference
stated in
UniChem
NMRShiftDB structure ID
10508
1 reference
matched by identifier from
InChIKey
InChIKey
FDSDIYQHKYXSBM-YCZSINBZSA-N
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