Nimbionone
Basic information
- CAS
119889-29-1- Standard SMILES
COc1cc2c(cc1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O- InChIKey
GIRUCUXRCNBFOL-MAUKXSAKSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Overview
Nimbionone has been reported in Azadirachta indica with data available.
Names & identifiers
- Preferred name
- Nimbionone
- IUPAC
- (4aS,10aR)-6-hydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
Names & synonyms
Nimbionone119889-29-1RefChem:165945(4aS,10aR)-6-hydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione12-hydroxy-13-methoxypodocarpa-8(14),9(11),12-triene-3,7-dioneDTXSID50923134
Database identifiers
- CAS
119889-29-1- PubChem CID
- 189706
- DTXSID
DTXSID50923134
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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