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(Q72510490)
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English
Trichorabdal A
group of stereoisomers with the chemical formula C₂₀H₂₆O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
346.1780239319999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₅
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canonical SMILES
C=C1C(=O)C23CC1CC(O)C2C1(CCCC(C)(C)C1C=O)COC3=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C1C(=O)C23C[C@@H]1C[C@@H](O)C2[C@@]1(CCCC(C)(C)C1C=O)COC3=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H26O5/c1-11-12-7-13(22)15-19(6-4-5-18(2,3)14(19)9-21)10-25-17(24)20(15,8-12)16(11)23/h9,12-15,22H,1,4-8,10H2,2-3H3/t12-,13+,14?,15?,19-,20?/m0/s1
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InChIKey
KIJKAQHLSSAHOL-VRIVICMCSA-N
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CAS Registry Number
85329-59-5
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PubChem CID
24893464
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42729389
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601005805
0 references
DSSTOX compound identifier
DTXCID501432683
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