(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-2',10'-bis(acetyloxy)-8',12',15',15'-tetramethyl-5'-{[(3R)-3-(methylamino)-3-phenylpropanoyl]oxy}-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate
AlkaPlorer ID: AK071936
Synonym: None
IUPAC Name: [(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-2',10'-diacetyloxy-8',12',15',15'-tetramethyl-5'-[(3R)-3-(methylamino)-3-phenylpropanoyl]oxy-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-9'-yl] pyridine-3-carboxylate
Structure
SMILES: CN[C@H](CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](OC(=O)C3=CC=CN=C3)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]2[C@@]12CO2)C3(C)C)C1=CC=CC=C1
InChI: InChI=1S/C40H48N2O10/c1-22-29(45)18-27-33(49-23(2)43)35-39(6,16-15-30(40(35)21-48-40)51-31(46)19-28(41-7)25-12-9-8-10-13-25)36(52-37(47)26-14-11-17-42-20-26)34(50-24(3)44)32(22)38(27,4)5/h8-14,17,20,27-28,30,33-36,41H,15-16,18-19,21H2,1-7H3/t27-,28+,30-,33+,34+,35-,36-,39+,40+/m0/s1
InChIKey: WBELIWHXAWQQHE-SOYAIIEESA-N
Source
Properties Information
Molecule Weight: 716.8280000000001
TPSA？: 159.71999999999997
MolLogP？: 4.863600000000004
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 6
Activities Information
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