(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-2',10'-bis(acetyloxy)-5'-{[(3S)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate
AlkaPlorer ID: AK079007
Synonym: None
IUPAC Name: [(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-2',10'-diacetyloxy-5'-[(3S)-3-amino-3-phenylpropanoyl]oxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-9'-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)O[C@@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(=O)C3=CC=CN=C3)[C@]3(C)CC[C@H](OC(=O)C[C@H](N)C4=CC=CC=C4)[C@]4(CO4)[C@@H]13)C2(C)C
InChI: InChI=1S/C39H46N2O10/c1-21-28(44)17-26-32(48-22(2)42)34-38(6,15-14-29(39(34)20-47-39)50-30(45)18-27(40)24-11-8-7-9-12-24)35(51-36(46)25-13-10-16-41-19-25)33(49-23(3)43)31(21)37(26,4)5/h7-13,16,19,26-27,29,32-35H,14-15,17-18,20,40H2,1-6H3/t26-,27-,29-,32+,33+,34-,35-,38+,39+/m0/s1
InChIKey: BGFACZKHEDDYOW-LYTSVUBRSA-N
Source
Properties Information
Molecule Weight: 702.8010000000002
TPSA？: 173.71000000000004
MolLogP？: 4.602900000000003
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 6
Activities Information
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