(-)-Eschscholtzine
AlkaPlorer ID: AK033131
Synonym: 'Crychine', 'Crychin', 'Californin', 'Californine', 'Eschscholtzin'
IUPAC Name: (1R,12R)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
Structure
SMILES: CN1[C@@H]2CC3=C(C=C4OCOC4=C3)[C@H]1CC1=CC3=C(C=C12)OCO3
InChI: InChI=1S/C19H17NO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17/h4-7,14-15H,2-3,8-9H2,1H3/t14-,15-/m1/s1
InChIKey: PGINMPJZCWDQNT-HUUCEWRRSA-N
Reference
PubChem CID: 193382
CAS: 4040-75-9
LOTUS: LTS0055740
SuperNatural Ⅲ: SN0284680-02
NPASS: NPC305712
Source
Properties Information
Molecule Weight: 323.34800000000007
TPSA?: 40.16
MolLogP?: 2.9704000000000006
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 6
Activities Information
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