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English
6-hydroxyisocompactin
group of stereoisomers with the chemical formula C₂₃H₃₄O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
406.2355388079999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₄O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)C(=O)OC1CC=CC2=CC(O)C(C)C(CCC3CC(O)CC(=O)O3)C21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-7-5-6-15-10-19(25)14(3)18(22(15)20)9-8-17-11-16(24)12-21(26)28-17/h5-6,10,13-14,16-20,22,24-25H,4,7-9,11-12H2,1-3H3/t13-,14+,16+,17+,18-,19+,20-,22?/m0/s1
0 references
InChIKey
JCXABYACWXHFQQ-XAFXHSNKSA-N
0 references
CAS Registry Number
85798-96-5
0 references
PubChem CID
72792429
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
70349045
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901006383
0 references
DSSTOX compound identifier
DTXCID401436270
0 references
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