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(Q105257131)
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lobohedleolide
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Statements
instance of
type of chemical entity
0 references
subclass of
6,14-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
330.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,6E,10Z,14E,15aR)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
lobohedleolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,6E,10E,14E,15aR)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(7Z)-lobohedleolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,6Z,10E,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
1 reference
based on heuristic
inferred from InChI
lobohedleolide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₄
0 references
canonical SMILES
O=C(O)C1=CCCC(=CC2OC(=O)C(=C)C2CCC(=CCC1)C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C(=O)O)CCC=C(C)CC[C@@H]12
0 references
found in taxon
Lobophytum crassum
1 reference
stated in
Lobohedleolide and (7Z)-lobohedleolide, new cembranolides from the soft coral lobophytum hedleyi whitelegge
Lobophytum
1 reference
stated in
HIV-inhibitory cembrane derivatives from a Philippines collection of the soft coral Lobophytum species
Identifiers
InChI
InChI=1S/C20H26O4/c1-13-6-4-8-16(19(21)22)9-5-7-14(2)12-18-17(11-10-13)15(3)20(23)24-18/h6,9,12,17-18H,3-5,7-8,10-11H2,1-2H3,(H,21,22)/b13-6?,14-12+,16-9-/t17-,18-/m0/s1
0 references
InChIKey
SORYERHBQFTRIK-DLTRJGTOSA-N
0 references
PubChem CID
163008577
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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