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(Q105203834)
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English
sinularolide A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
366.20423868
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,5S,6S,9Z,13E,15R,15aR)-5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,5R,6R,9E,13E,15S,15aR)-5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₆
0 references
canonical SMILES
O=C1OC2C(O)C(=CCCC(=CCCC(O)(CO)C(O)CC2C1=C)C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@](O)(CO)[C@@H](O)C[C@H]12
0 references
found in taxon
Sinularia gibberosa
1 reference
stated in
Cytotoxic cembranoid diterpenes from a soft coral Sinularia gibberosa
Identifiers
InChI
InChI=1S/C20H30O6/c1-12-6-4-8-13(2)17(23)18-15(14(3)19(24)26-18)10-16(22)20(25,11-21)9-5-7-12/h7-8,15-18,21-23,25H,3-6,9-11H2,1-2H3/b12-7+,13-8+/t15-,16+,17+,18-,20+/m1/s1
0 references
InChIKey
OZILXJUBBKPMRE-HAUURUDMSA-N
0 references
PubChem CID
21574171
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OZILXJUBBKPMRE-HAUURUDMSA-N
UniChem compound ID
552704
1 reference
stated in
UniChem
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