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English
Tamarixone
group of stereoisomers with the chemical formula C₃₀H₄₈O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
440.365430776
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₈O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=C1CC2(CO)CCC3C(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C(C)C1C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C1C[C@]2(CO)CC[C@@H]3C(CC[C@H]4[C@@]3(C)CCC3C(C)(C)C(=O)CC[C@@]34C)[C@H]2[C@@H](C)[C@@H]1C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C30H48O2/c1-18-16-30(17-31)15-10-22-21(26(30)20(3)19(18)2)8-9-24-28(22,6)13-11-23-27(4,5)25(32)12-14-29(23,24)7/h19-24,26,31H,1,8-17H2,2-7H3/t19-,20+,21?,22-,23?,24+,26-,28+,29+,30+/m1/s1
0 references
InChIKey
SKTKWKQBCTYFMA-LOMYOCKRSA-N
0 references
CAS Registry Number
119708-40-6
0 references
PubChem CID
195317
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
46013782
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20923085
0 references
DSSTOX compound identifier
DTXCID101351950
0 references
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