(1R,5S)-5,8,8-trimethyl-4-oxobicyclo[3.2.1]oct-2-en-2-yl 4-nitrobenzoate
AlkaPlorer ID: AK354096
Synonym: None
IUPAC Name: [(1R,5S)-5,8,8-trimethyl-4-oxo-2-bicyclo[3.2.1]oct-2-enyl] 4-nitrobenzoate
Structure
SMILES: CC1(C)[C@H]2CC[C@]1(C)C(=O)C=C2OC(=O)C1=CC=C([N+](=O)[O-])C=C1
InChI: InChI=1S/C18H19NO5/c1-17(2)13-8-9-18(17,3)15(20)10-14(13)24-16(21)11-4-6-12(7-5-11)19(22)23/h4-7,10,13H,8-9H2,1-3H3/t13-,18+/m0/s1
InChIKey: CHVRDANIMSLISG-SCLBCKFNSA-N
Reference
5-Lipoxygenase and Cyclooxygenase-1 Inhibitory Active Compounds from <i>Atractylodes lancea</i>
Antihepatotoxic Principles of Atractylodes Rhizomes
PubChem CID: 7159506
SuperNatural Ⅲ: SN0046135-02
Source
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Properties Information
Molecule Weight: 329.3520000000001
TPSA？: 86.51
MolLogP？: 3.660700000000003
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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