Bn-NCC-3; 1,20-Didehydro, 1''',2'''-dihydro, 1'''ξ,2'''-dihydroxy, 2''-malonyl, 3'-Me ester
AlkaPlorer ID: AK307489
Synonym: Ed-YCC
IUPAC Name: None
Structure
SMILES: COC(=O)C1C(=O)C2=C(NC(CC3=C(CCOC(=O)CC(=O)O)C(C)=C(C=O)N3)=C2C)C1C1=C(CCC(=O)O)C(C)=C(C=C2NC(=O)C(C(O)CO)=C2C)N1
InChI: InChI=1S/C38H42N4O13/c1-15-19(8-9-55-29(50)12-28(48)49)24(39-25(15)13-43)11-22-18(4)31-35(41-22)32(33(36(31)51)38(53)54-5)34-20(6-7-27(46)47)16(2)21(40-34)10-23-17(3)30(26(45)14-44)37(52)42-23/h10,13,26,32-33,39-41,44-45H,6-9,11-12,14H2,1-5H3,(H,42,52)(H,46,47)(H,48,49)
InChIKey: DAGWBSPWCXUDEQ-UHFFFAOYSA-N
Reference
CAS: 1609015-49-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Egeria densa | Egeria | Hydrocharitaceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 762.7690000000002
TPSA？: 278.27
MolLogP？: 1.8348600000000013
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|