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(Q82904062)
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English
3-Hydroxyatis-16-ene-2,14-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
atisane diterpenoid
0 references
mass
316.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₃
0 references
canonical SMILES
O=C1CC2(C)C(CCC34C(=O)CC(C(=C)C3)CC42)C(C)(C)C1O
0 references
isomeric SMILES
C[C@@]12CC(=O)[C@H](C([C@H]1CC[C@]34[C@H]2C[C@H](CC3=O)C(=C)C4)(C)C)O
0 references
found in taxon
Euphorbia guyoniana
1 reference
stated in
Diterpenoids and triterpenoids from Euphorbia guyoniana
Identifiers
InChI
InChI=1S/C20H28O3/c1-11-9-20-6-5-14-18(2,3)17(23)13(21)10-19(14,4)15(20)7-12(11)8-16(20)22/h12,14-15,17,23H,1,5-10H2,2-4H3/t12-,14-,15+,17-,19-,20+/m1/s1
0 references
InChIKey
DSGJNNDCMDMSTM-KKVGBOLFSA-N
0 references
CAS Registry Number
136025-63-3
0 references
PubChem CID
392473
1 reference
matched by identifier from
InChIKey
InChIKey
DSGJNNDCMDMSTM-KKVGBOLFSA-N
UniChem compound ID
32184387
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60929228
1 reference
matched by identifier from
InChIKey
InChIKey
DSGJNNDCMDMSTM-KKVGBOLFSA-N
DSSTOX compound identifier
DTXCID301357980
0 references
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