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(Q82911012)
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English
12-Deacetoxyscalaradial
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4b,7,7,10a,12a-Pentamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysene-1,2-dicarbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
370.287180456
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₈O₂
0 references
canonical SMILES
O=CC1=CCC2C(C)(CCC3C4(C)CCCC(C)(C)C4CCC23C)C1C=O
0 references
isomeric SMILES
C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@]4([C@H]3CC=C([C@@H]4C=O)C=O)C)C)(C)C
0 references
found in taxon
Cacospongia mollior
2 references
stated in
A new scalarane sesterterpenoid from the marine sponge Cacospongia mollior
stated in
A new scalarane sesterterpenoid from the marine sponge Cacospongia mollior
Cacospongia scalaris
2 references
stated in
New Cytotoxic Metabolites from the SpongeCacospongia scalaris
stated in
New Cytotoxic Metabolites from the SpongeCacospongia scalaris
Psammocinia
1 reference
stated in
Cytotoxic scalarane sesterterpenes from a Korean marine sponge Psammocinia sp.
Identifiers
InChI
InChI=1S/C25H38O2/c1-22(2)11-6-12-24(4)19(22)9-14-25(5)20-8-7-17(15-26)18(16-27)23(20,3)13-10-21(24)25/h7,15-16,18-21H,6,8-14H2,1-5H3/t18-,19-,20+,21+,23+,24-,25-/m0/s1
0 references
InChIKey
QNKOIQITFODMFG-RNDOZLNUSA-N
0 references
CAS Registry Number
154554-90-2
0 references
PubChem CID
9976453
1 reference
matched by identifier from
InChIKey
InChIKey
QNKOIQITFODMFG-RNDOZLNUSA-N
UniChem compound ID
634302
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70935012
1 reference
matched by identifier from
InChIKey
InChIKey
QNKOIQITFODMFG-RNDOZLNUSA-N
DSSTOX compound identifier
DTXCID401363649
0 references
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