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(Q105173886)
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English
Crassocolide O
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cembrane
0 references
mass
314.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,5Z,10E,14E,15aR)-6,10,14-trimethyl-3-methylidene-4,8,9,12,13,15a-hexahydro-3aH-cyclotetradeca[b]furan-2,7-dione
1 reference
based on heuristic
inferred from InChIKey
(3aS,5Z,10E,15aS)-6,10,14-trimethyl-3-methylidene-4,8,9,12,13,15a-hexahydro-3aH-cyclotetradeca[b]furan-2,7-dione
1 reference
based on heuristic
inferred from InChI
(3aR,15aR)-6,10,14-trimethyl-3-methylidene-4,8,9,12,13,15a-hexahydro-3aH-cyclotetradeca[b]furan-2,7-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₃
0 references
canonical SMILES
O=C1OC2C=C(C)CCC=C(C)CCC(=O)C(=CCC2C1=C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CCC(=O)/C(C)=C\C[C@@H]12
0 references
found in taxon
Sarcophyton crassocaule
1 reference
stated in
Crassocolides N-P, three cembranoids from the Formosan soft coral Sarcophyton crassocaule
Identifiers
InChI
InChI=1S/C20H26O3/c1-13-6-5-7-14(2)12-19-17(16(4)20(22)23-19)10-9-15(3)18(21)11-8-13/h6,9,12,17,19H,4-5,7-8,10-11H2,1-3H3/b13-6+,14-12+,15-9-/t17-,19-/m0/s1
0 references
InChIKey
MWYQRKSBBTVTOQ-GXHOQLSRSA-N
0 references
PubChem CID
54764415
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MWYQRKSBBTVTOQ-GXHOQLSRSA-N
UniChem compound ID
27236082
1 reference
stated in
UniChem
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