21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.0²,¹?.0?,¹².0?,¹?.0¹?,²?]henicosa-4(12),5,7,9-tetraen-17-ol
AlkaPlorer ID: AK016180
Synonym: None
IUPAC Name: (16S)-21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-17-ol
Structure
SMILES: CC1C2COC(O)[C@H]3C2CC2C4=C(CC3N21)C1=CC=CC=C1N4
InChI: InChI=1S/C19H22N2O2/c1-9-13-8-23-19(22)17-11(13)6-16-18-12(7-15(17)21(9)16)10-4-2-3-5-14(10)20-18/h2-5,9,11,13,15-17,19-20,22H,6-8H2,1H3/t9?,11?,13?,15?,16?,17-,19?/m0/s1
InChIKey: LVOPRJWLXUCHRL-INNIGDEVSA-N
Reference
The alkaloids of Rauwolfia volkensii
PubChem CID: 6325796
LOTUS: LTS0193792
NPASS: NPC154780
Source
Properties Information
Molecule Weight: 310.397
TPSA？: 48.49
MolLogP？: 2.4387
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 7
Activities Information
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