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(Q105024748)
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English
gitaloxin
group of stereoisomers with the chemical formula C₄₂H₆₄O₁₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
808.424521348
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₂H₆₄O₁₅
0 references
canonical SMILES
O=COC1CC2(O)C3CCC4CC(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(O)C(O)C7)C(O)C6)C(O)C5)CCC4(C)C3CCC2(C)C1C8=CC(=O)OC8
0 references
found in taxon
Digitalis purpurea
1 reference
stated in
High-performance liquid chromatographic determination of secondary cardiac glycosides in Digitalis purpurea leaves
Identifiers
InChI
InChI=1S/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3
0 references
InChIKey
GZZJHPZDXZCDDA-UHFFFAOYSA-N
0 references
CAS Registry Number
3261-53-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
71123
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
GZZJHPZDXZCDDA-UHFFFAOYSA-N
UniChem compound ID
510514
1 reference
stated in
UniChem
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