Carteritin B
AlkaPlorer ID: AK135538
Synonym: None
IUPAC Name: (3S,6S,9S,15S,18S,21S,24S)-21-(hydroxymethyl)-3,6,15-tris[(4-hydroxyphenyl)methyl]-18-(2-methylpropyl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,20,23-heptone
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CO)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C46H57N7O11/c1-26(2)21-33-40(58)49-35(23-28-9-15-31(56)16-10-28)45(63)52-19-3-5-38(52)43(61)48-34(22-27-7-13-30(55)14-8-27)41(59)50-36(24-29-11-17-32(57)18-12-29)46(64)53-20-4-6-39(53)44(62)51-37(25-54)42(60)47-33/h7-18,26,33-39,54-57H,3-6,19-25H2,1-2H3,(H,47,60)(H,48,61)(H,49,58)(H,50,59)(H,51,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKey: STRWMLGXJXOZRE-ZTYVOHGWSA-N
Reference
Purification, Structure Determination, and Antimicrobial Activity of Neutramycins B−G
PubChem CID: 132516355
NPASS: NPC489829
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa flabelliformis | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 883.9999999999999
TPSA？: 284.49
MolLogP？: 4.490800000000003
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 6