Ervafoline
AlkaPlorer ID: AK000798
Synonym: None
IUPAC Name: methyl (2S,10R,15R,17S,18S,20S,21R,23S,24S,28S,40S)-18,23-diethyl-16,22-dioxa-3,13,25,35-tetrazatridecacyclo[21.15.1.110,13.01,25.02,28.03,21.04,9.010,21.015,17.020,24.028,36.029,34.018,40]tetraconta-4,6,8,29,31,33,36-heptaene-37-carboxylate
Structure
SMILES: CC[C@]12C[C@H]3[C@H]4[C@@]5(CC67N4CC[C@@]8([C@@H]6N9[C@]3(O5)[C@@]3([C@H]1N(CC3)C[C@@H]1[C@H]2O1)C1=CC=CC=C19)C1=CC=CC=C1NC8=C(C7)C(=O)OC)CC
InChI: InChI=1S/C40H44N4O4/c1-4-35-19-25-30-37(5-2)21-36-18-22(32(45)46-3)29-38(14-17-43(30)36,23-10-6-8-12-26(23)41-29)34(36)44-27-13-9-7-11-24(27)39(40(25,44)48-37)15-16-42(33(35)39)20-28-31(35)47-28/h6-13,25,28,30-31,33-34,41H,4-5,14-21H2,1-3H3/t25-,28+,30-,31+,33-,34+,35+,36?,37-,38+,39+,40+/m0/s1
InChIKey: FQDMJZBDZWLYDU-MKVZHSBTSA-N
Reference
PubChem CID: 138404340
Source
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Properties Information
Molecule Weight: 644.816
TPSA？: 69.81
MolLogP？: 4.684600000000005
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 13
Activities Information
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