Bastadin 13; 28-Debromo
AlkaPlorer ID: AK290203
Synonym: Bastadin 21
IUPAC Name: (12Z,25Z)-16,21,32-tribromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3,5,7(38),14(37),15,17,20,22,30,33,35-dodecaene-11,26-dione
Structure
SMILES: O/N=C1\CC2=CC=C(OC3=CC(=CC(Br)=C3O)C/C(=N\O)C(O)=NCCC3=CC=C(O)C(=C3)OC3=CC=C(C=C3Br)CCN=C1O)C(Br)=C2
InChI: InChI=1S/C34H29Br3N4O8/c35-22-11-18-2-5-28(22)48-30-16-19(1-4-27(30)42)8-10-39-34(45)26(41-47)15-21-13-24(37)32(43)31(17-21)49-29-6-3-20(12-23(29)36)14-25(40-46)33(44)38-9-7-18/h1-6,11-13,16-17,42-43,46-47H,7-10,14-15H2,(H,38,44)(H,39,45)/b40-25+,41-26+
InChIKey: TUYUXKVFCXANLL-QHTJZBTGSA-N
Source
Properties Information
Molecule Weight: 861.3380000000001
TPSA？: 189.28
MolLogP？: 8.427100000000006
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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