Bastadin 16
AlkaPlorer ID: AK290206
Synonym: None
IUPAC Name: (12Z,25Z)-16,21,32,33,36-pentabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),30,33,36-dodecaene-11,26-dione
Structure
SMILES: O/N=C1\CC2=CC(Br)=C(OC3=CC(=CC(Br)=C3O)C/C(=N\O)C(O)=NCCC3=CC(Br)=C(OC4=CC(=CC=C4O)CCN=C1O)C(Br)=C3)C(Br)=C2
InChI: InChI=1S/C34H27Br5N4O8/c35-20-9-19-13-26(43-49)34(47)41-6-4-17-7-21(36)31(22(37)8-17)50-28-14-16(1-2-27(28)44)3-5-40-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29(15-19)30(20)45/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,46)(H,41,47)/b42-25+,43-26+
InChIKey: AJMQODPAUXMBSS-DCRHPOARSA-N
Reference
Trimeric Hemibastadin Congener from the Marine Sponge <i>Ianthella basta</i>
PubChem CID: 15965448
CAS: 156312-12-8
LOTUS: LTS0051444
SuperNatural Ⅲ: SN0007270-04
NPASS: NPC298981
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1019.13
TPSA？: 189.28
MolLogP？: 9.952099999999996
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8