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(Q82897060)
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Nimbionol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dihydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
1 reference
based on heuristic
inferred from SMILES
mass
304.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S,4aS,10aS)-2,6-dihydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₄O₄
0 references
canonical SMILES
O=C1C2=CC(OC)=C(O)C=C2C3(C)CCC(O)C(C)(C)C3C1
0 references
isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC(=O)C3=CC(=C(C=C23)O)OC)(C)C)O
0 references
found in taxon
Azadirachta indica
1 reference
stated in
Phenolic tricyclic diterpenoids from the bark of Azadirachta indica
Identifiers
InChI
InChI=1S/C18H24O4/c1-17(2)15-9-12(19)10-7-14(22-4)13(20)8-11(10)18(15,3)6-5-16(17)21/h7-8,15-16,20-21H,5-6,9H2,1-4H3/t15-,16-,18+/m0/s1
0 references
InChIKey
JKTSDLANZJEZMK-XYJFISCASA-N
0 references
CAS Registry Number
119875-24-0
0 references
PubChem CID
189704
1 reference
matched by identifier from
InChIKey
InChIKey
JKTSDLANZJEZMK-XYJFISCASA-N
UniChem compound ID
67638971
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70923131
1 reference
matched by identifier from
InChIKey
InChIKey
JKTSDLANZJEZMK-XYJFISCASA-N
DSSTOX compound identifier
DTXCID601351993
0 references
KNApSAcK ID
C00053558
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JKTSDLANZJEZMK-XYJFISCASA-N
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