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(Q105172527)
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English
(1R,3R,5S,8Z,12E,14R,15R)-14-hydroxy-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
14-Hydroxy-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
1 reference
based on heuristic
inferred from SMILES
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
sinularolide C
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,3R,5S,8Z,12E,14S,15R)-14-hydroxy-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,3R,5S,8E,12E,14S,15R)-14-hydroxy-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-17-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
sinularolide B
1 reference
based on heuristic
inferred from InChI
(1R,3R,5S,8E,12E,14R,15R)-14-hydroxy-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-17-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₅
0 references
canonical SMILES
O=C1OC2C(O)C(=CCCC(=CCCC3(OC3CC2C1=C)CO)C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(CO)CC/C=C(/C)CC/C=C(\C)[C@H]2O
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
Sinularia gibberosa
1 reference
stated in
Cytotoxic cembranoid diterpenes from a soft coral Sinularia gibberosa
Identifiers
InChI
InChI=1S/C20H28O5/c1-12-6-4-8-13(2)17(22)18-15(14(3)19(23)24-18)10-16-20(11-21,25-16)9-5-7-12/h7-8,15-18,21-22H,3-6,9-11H2,1-2H3/b12-7-,13-8+/t15-,16-,17-,18-,20+/m1/s1
0 references
InChIKey
MULWDJOXRRXULO-QCQAQYAYSA-N
0 references
PubChem CID
162846533
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MULWDJOXRRXULO-QCQAQYAYSA-N
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