(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R,13'S)-2',9',13'-tris(acetyloxy)-10'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-5'-yl (3R)-3-(dimethylamino)-3-phenylpropanoate
AlkaPlorer ID: AK047625
Synonym: None
IUPAC Name: [(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R,13'S)-2',9',13'-triacetyloxy-10'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] (3R)-3-(dimethylamino)-3-phenylpropanoate
Structure
SMILES: CC(=O)O[C@@H]1[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(=O)C[C@H](C4=CC=CC=C4)N(C)C)[C@]4(CO4)[C@@H]13)C2(C)C
InChI: InChI=1S/C37H51NO10/c1-20-27(45-21(2)39)17-25-32(46-22(3)40)33-36(7,34(47-23(4)41)31(43)30(20)35(25,5)6)16-15-28(37(33)19-44-37)48-29(42)18-26(38(8)9)24-13-11-10-12-14-24/h10-14,25-28,31-34,43H,15-19H2,1-9H3/t25-,26+,27-,28-,31+,32+,33-,34-,36+,37+/m0/s1
InChIKey: LXAYMJMHDMSCLZ-IEXCIOQWSA-N
Source
Properties Information
Molecule Weight: 669.8120000000001
TPSA？: 141.20000000000002
MolLogP？: 4.308700000000003
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5
Activities Information
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