(19R)-19-Hydroxytabernaelegantine A
AlkaPlorer ID: AK117583
Synonym: ''
IUPAC Name: methyl (1R,15S,17R,18R)-5-[(1S,12R,14S,15R,18R)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1S)-1-hydroxyethyl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: CC[C@H]1CN(C)[C@H]2CC3=C(NC4=CC=CC=C34)[C@@H](C3=C4NC5=C(CCN6C[C@H]7C[C@@H]([C@H](C)O)[C@@H]6[C@]5(C(=O)OC)C7)C4=CC=C3OC)C[C@@H]1[C@H]2C(=O)OC
InChI: InChI=1S/C43H54N4O6/c1-7-24-21-46(3)33-18-30-25-10-8-9-11-32(25)44-37(30)31(17-29(24)35(33)41(49)52-5)36-34(51-4)13-12-26-27-14-15-47-20-23-16-28(22(2)48)40(47)43(19-23,42(50)53-6)39(27)45-38(26)36/h8-13,22-24,28-29,31,33,35,40,44-45,48H,7,14-21H2,1-6H3/t22-,23-,24-,28-,29-,31+,33-,35+,40+,43-/m0/s1
InChIKey: PYIDSJMLYRYDMC-XEXWFEGZSA-N
Source
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Properties Information
Molecule Weight: 722.9270000000001
TPSA？: 120.12000000000002
MolLogP？: 5.539600000000005
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 10
Activities Information
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