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(Q83022645)
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Euphracal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
abietane diterpenoid
0 references
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=CC12C=3C(O)=C(O)C(=CC3CCC1C(C)(C)CCC2)C(O)(C)C
0 references
isomeric SMILES
CC1(CCC[C@]2([C@H]1CCC3=CC(=C(C(=C32)O)O)C(C)(C)O)C=O)C
0 references
found in taxon
Salvia euphratica
1 reference
stated in
Euphraticol and Euphracal, Two New Diterpenes from Salvia euphratica
Identifiers
InChI
InChI=1S/C20H28O4/c1-18(2)8-5-9-20(11-21)14(18)7-6-12-10-13(19(3,4)24)16(22)17(23)15(12)20/h10-11,14,22-24H,5-9H2,1-4H3/t14-,20+/m0/s1
0 references
InChIKey
PYTLDRWOIRGNPZ-VBKZILBWSA-N
0 references
CAS Registry Number
126005-98-9
0 references
PubChem CID
182743
1 reference
matched by identifier from
InChIKey
InChIKey
PYTLDRWOIRGNPZ-VBKZILBWSA-N
UniChem compound ID
59978170
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40155043
1 reference
matched by identifier from
InChIKey
InChIKey
PYTLDRWOIRGNPZ-VBKZILBWSA-N
DSSTOX compound identifier
DTXCID8077534
0 references
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