Carteritin A
AlkaPlorer ID: AK135533
Synonym: None
IUPAC Name: 3-[(3S,9S,12S,15S,21S,24S,27S)-12-benzyl-9-[(2S)-butan-2-yl]-21-[(4-hydroxyphenyl)methyl]-2,8,11,14,20,23,26-heptaoxo-1,7,10,13,19,22,25-heptazatetracyclo[25.3.0.03,7.015,19]triacontan-24-yl]propanoic acid
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C44H57N7O10/c1-3-26(2)37-44(61)51-23-9-14-35(51)43(60)50-22-8-13-34(50)40(57)45-30(19-20-36(53)54)38(55)47-32(25-28-15-17-29(52)18-16-28)42(59)49-21-7-12-33(49)41(58)46-31(39(56)48-37)24-27-10-5-4-6-11-27/h4-6,10-11,15-18,26,30-35,37,52H,3,7-9,12-14,19-25H2,1-2H3,(H,45,57)(H,46,58)(H,47,55)(H,48,56)(H,53,54)/t26-,30-,31-,32-,33-,34-,35-,37-/m0/s1
InChIKey: ACFCONXAMMCWPZ-WQGFMQHCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa flabelliformis | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 843.9789999999997
TPSA？: 248.82
MolLogP？: 4.375300000000005
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 6