(1R,2R,3R,4R,7S,9R,10R,11R,14S)-2,3,10-tris(acetyloxy)-4,14,15,15-tetramethyl-8-methylidene-13-oxotetracyclo[9.3.1.0¹,⁹.0⁴,⁹]pentadecan-7-yl (2R,3R)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
AlkaPlorer ID: AK321890
Synonym: None
IUPAC Name: [(2R,3R,4R,7S,10R,11R,14S)-2,3,10-triacetyloxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
Structure
SMILES: C=C1[C@@H](OC(=O)[C@H](O)[C@H](C2=CC=CC=C2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)C132)C4(C)C
InChI: InChI=1S/C37H49NO10/c1-19-26(42)18-25-30(45-21(3)39)37-20(2)27(48-33(44)29(43)28(38(9)10)24-14-12-11-13-15-24)16-17-35(37,8)31(46-22(4)40)32(47-23(5)41)36(19,37)34(25,6)7/h11-15,19,25,27-32,43H,2,16-18H2,1,3-10H3/t19-,25+,27+,28+,29-,30-,31+,32+,35+,36?,37?/m1/s1
InChIKey: XYWMVQVOXQGCCB-RSZAUDQCSA-N
Source
Properties Information
Molecule Weight: 667.7960000000002
TPSA？: 145.73999999999998
MolLogP？: 3.9647000000000014
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5
Activities Information
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