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(Q82986901)
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English
1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
picrasane
0 references
mass
380.183503236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₇
0 references
canonical SMILES
O=C1OC2CC3C(=CC(O)C(O)C3(C)C4C(=O)C(O)C(C)C(C1)C24CO)C
0 references
found in taxon
Castela tortuosa
3 references
stated in
Recent Examples of Natural Products Isolation by Countercurrent Chromatographic Methods
stated in
Structure of chaparramarin, a quassinoid from Castela tortuosa
stated in
A new quassinoid from Castela texana
Homalolepis cedron
1 reference
stated in
Cytotoxic quassinoids from Simaba cedron
Castela texana
3 references
stated in
Recent Examples of Natural Products Isolation by Countercurrent Chromatographic Methods
stated in
A new quassinoid from Castela texana
stated in
Structure of chaparramarin, a quassinoid from Castela tortuosa
Identifiers
InChI
InChI=1S/C20H28O7/c1-8-4-12(22)18(26)19(3)10(8)5-13-20(7-21)11(6-14(23)27-13)9(2)15(24)16(25)17(19)20/h4,9-13,15,17-18,21-22,24,26H,5-7H2,1-3H3
0 references
InChIKey
NICGZSVOGGAMTD-UHFFFAOYSA-N
0 references
CAS Registry Number
74051-00-6
0 references
PubChem CID
122723
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NICGZSVOGGAMTD-UHFFFAOYSA-N
UniChem compound ID
1020041
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60995468
1 reference
matched by identifier from
InChIKey
InChIKey
NICGZSVOGGAMTD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID501422494
0 references
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