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(Q104401921)
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English
Asteriscunolide A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
1 reference
based on heuristic
inferred from SMILES
Asteriscunolide C
1 reference
based on heuristic
inferred from SMILES
Asteriscunolide D
1 reference
based on heuristic
inferred from SMILES
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4E,7E,10R)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4Z,7E,10S)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
1 reference
based on heuristic
inferred from InChI
(4Z,7E,10R)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
1 reference
based on heuristic
inferred from InChI
Asteriscunolide B
1 reference
based on heuristic
inferred from InChI
(4E,7E,10S)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C1OC2C=C1CCC=C(C(=O)C=CC2(C)C)C
0 references
isomeric SMILES
C/C1=C/CCC2=C[C@H](OC2=O)C(C)(C)/C=C\C1=O
0 references
found in taxon
Asteriscus intermedius
1 reference
stated in
Humulane derivatives from Nauplius intermedius
Asteriscus vogelii
1 reference
stated in
Bioactive humulene derivatives from Asteriscus vogelii
Asteriscus aquaticus
1 reference
stated in
Asteriscunolides A, B, C and D, the first humulanolides; Two pairs of conformationally stable stereoisomers
Asteriscus sericeus
1 reference
stated in
Nerolidol derivatives from Asteriscus sericeus
Asteriscus graveolens
1 reference
stated in
New humulene derivatives from asteriscus graveolens
Identifiers
InChI
InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7-,10-5-/t13-/m0/s1
0 references
InChIKey
CAHQQYHQUHYOGU-DCHWWWNVSA-N
0 references
PubChem CID
13919624
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CAHQQYHQUHYOGU-DCHWWWNVSA-N
UniChem compound ID
10822353
1 reference
stated in
UniChem
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