(1E,3S,4R,5S,6S,9R,10R,11R)-4-(acetyloxy)-11-[(2R,6R,8R,12R,15R,16S,17R,18R)-16,18-dihydroxy-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-10-hydroxy-3,5,9-trimethyl-1-(N-methylformamido)dodec-1-en-6-yl (2S)-2-(
AlkaPlorer ID: AK162679
Synonym: None
IUPAC Name: [(E,3S,4R,5S,6S,9R,10R,11R)-4-acetyloxy-11-[(2R,4E,6R,8R,10E,12R,15R,16S,17R,18R,20E,22E)-16,18-dihydroxy-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-1-[formyl(methyl)amino]-10-hydroxy-3,5,9-trimethyldodec-1-en-6-yl] (2S)-2-(dimethylamino)propanoate
Structure
SMILES: CO[C@H]1/C=C/C[C@H]([C@H](C)[C@H](O)[C@H](C)CC[C@H](OC(=O)[C@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)/C=C/N(C)C=O)OC(=O)/C=C/C=C/C[C@@H](O)[C@@H](C)[C@@H](O)[C@H](C)CC[C@@H](OC)/C(C)=C/C[C@@H](C)C1
InChI: InChI=1S/C53H90N2O12/c1-34-24-25-35(2)46(64-15)28-26-36(3)50(60)39(6)45(58)21-17-16-18-23-49(59)66-47(22-19-20-44(32-34)63-14)40(7)51(61)37(4)27-29-48(67-53(62)42(9)54(11)12)41(8)52(65-43(10)57)38(5)30-31-55(13)33-56/h16-20,23,25,30-31,33-34,36-42,44-48,50-52,58,60-61H,21-22,24,26-29,32H2,1-15H3/b17-16+,20-19+,23-18+,31-30+,35-25+/t34-,36-,37-,38+,39-,40+,41+,42+,44+,45-,46-,47-,48+,50+,51-,52-/m1/s1
InChIKey: BBBHWFQBKKSMGH-YPTXEYILSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysia kurodai | Aplysia | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 947.305
TPSA？: 181.6
MolLogP？: 7.608400000000011
Number of H-Donors: 3
Number of H-Acceptors: 13
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|