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(Q105313778)
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English
[(3aR,5Z,9E,13E,15aS)-10,14-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-6-yl]methyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(10,14-Dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-6-yl)methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
358.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aR,5Z,9Z,13E,15aS)-10,14-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-6-yl]methyl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀O₄
0 references
canonical SMILES
O=C1OC2CC(=CCCC(=CCCC(=CCC2C1=C)COC(=O)C)C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC/C(COC(C)=O)=C/C[C@H]12
0 references
found in taxon
Lobophytum crassum
1 reference
stated in
Structural and stereochemical studies of alpha-methylene-gamma-lactone-bearing cembrane diterpenoids from a south china sea soft coral Lobophytum crassum
Lobophytum durum
1 reference
stated in
Durumolides A–E, anti-inflammatory and antibacterial cembranolides from the soft coral Lobophytum durum
Identifiers
InChI
InChI=1S/C22H30O4/c1-15-7-5-9-16(2)13-21-20(17(3)22(24)26-21)12-11-19(10-6-8-15)14-25-18(4)23/h8-9,11,20-21H,3,5-7,10,12-14H2,1-2,4H3/b15-8+,16-9+,19-11-/t20-,21+/m1/s1
0 references
InChIKey
WVUIGZJAERAWJE-IOKPANFJSA-N
0 references
PubChem CID
24899914
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WVUIGZJAERAWJE-IOKPANFJSA-N
UniChem compound ID
32767820
1 reference
stated in
UniChem
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