Crispatine
AlkaPlorer ID: AK000100
Synonym: None
IUPAC Name: (1R,4R,5R,6S,16R)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Structure
SMILES: C[C@@H]1C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@H]([C@]1(C)O)C
InChI: InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3/t9-,10+,12-,13-,16-/m1/s1
InChIKey: PSUFRPOAICRSTC-RCJVZNENSA-N
Reference
PubChem CID: 21573657
Source
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Properties Information
Molecule Weight: 309.362
TPSA？: 76.07
MolLogP？: 0.49249999999999977
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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