methyl 1,4a-dimethyl-8-nitro-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
AlkaPlorer ID: AK345067
Synonym: None
IUPAC Name: methyl 1,4a-dimethyl-8-nitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Structure
SMILES: COC(=O)C1(C)CCCC2(C)C3=C(CCC12)C([N+](=O)[O-])=C(C(C)C)C=C3
InChI: InChI=1S/C21H29NO4/c1-13(2)14-7-9-16-15(18(14)22(24)25)8-10-17-20(16,3)11-6-12-21(17,4)19(23)26-5/h7,9,13,17H,6,8,10-12H2,1-5H3
InChIKey: BMSNLFKXRWSZRA-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 359.46600000000007
TPSA？: 69.44
MolLogP？: 4.901500000000005
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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