Paxdaphnine B
AlkaPlorer ID: AK000009
Synonym: None
IUPAC Name: methyl (1R,2R,5S,8S,14R,15R)-5-ethyl-2-(hydroxymethyl)-6-azapentacyclo[9.5.1.01,5.02,8.014,17]heptadec-11(17)-ene-15-carboxylate
Structure
SMILES: CC[C@]12CC[C@@]3([C@]14C[C@H]([C@@H]5C4=C(CC[C@@H]3CN2)CC5)C(=O)OC)CO.CC[C@]12CC[C@@]3([C@]14C[C@H]([C@@H]5C4=C(CC[C@@H]3CN2)CC5)C(=O)OC)CO
InChI: InChI=1S/2C21H31NO3/c2*1-3-20-9-8-19(12-23)14(11-22-20)6-4-13-5-7-15-16(18(24)25-2)10-21(19,20)17(13)15/h2*14-16,22-23H,3-12H2,1-2H3/t2*14-,15-,16-,19-,20+,21-/m11/s1
InChIKey: SFUXEMTWYLHDKL-NZDDHLGPSA-N
Source
Properties Information
Molecule Weight: 690.966
TPSA？: 117.12
MolLogP？: 5.613600000000007
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 10
Activities Information
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