decarbomethoxyvoacamine
AlkaPlorer ID: AK036815
Synonym: None
IUPAC Name: methyl (1S,15R,17S,18S)-17-ethyl-5-[(1R,12S,14R,15Z,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-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: C/C=C1\CN(C)[C@@H]2CC3=C(NC4=CC=CC=C34)[C@H](C3=C(OC)C=CC4=C3NC3=C4CCN4C[C@@H]5C[C@H](CC)[C@H]4[C@@]3(C(=O)OC)C5)C[C@@H]1[C@@H]2C(=O)OC
InChI: InChI=1S/C43H52N4O5/c1-7-24-17-23-20-43(42(49)52-6)39-28(15-16-47(21-23)40(24)43)27-13-14-34(50-4)36(38(27)45-39)31-18-29-25(8-2)22-46(3)33(35(29)41(48)51-5)19-30-26-11-9-10-12-32(26)44-37(30)31/h8-14,23-24,29,31,33,35,40,44-45H,7,15-22H2,1-6H3/b25-8+/t23-,24+,29+,31+,33-,35+,40+,43-/m1/s1
InChIKey: QJHYXWBJZHUJGS-UALVCTRNSA-N
Source
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Properties Information
Molecule Weight: 704.9120000000003
TPSA？: 99.89
MolLogP？: 6.488900000000007
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 10
Activities Information
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