(1S,2R,3S,5S,6S,15R,20R,21S)-15-(acetyloxy)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18-pentaen-6-yl (2R)-2-(N,2-dimethylpropanamido)propanoate
AlkaPlorer ID: AK581422
Synonym: None
IUPAC Name: [(1S,2R,3S,5S,6S,15R,16E,18E,20R,21S)-15-acetyloxy-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2R)-2-[methyl(2-methylpropanoyl)amino]propanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)[C@H](OC(C)=O)/C(C)=C/C=C/[C@@H](OC)[C@@]1(O)C[C@H](OC(O)=N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@@H](C)N(C)C(=O)C(C)C)CC(=O)N2C
InChI: InChI=1S/C38H52ClN3O12/c1-19(2)34(45)41(8)22(5)35(46)53-29-17-30(44)42(9)25-15-24(16-26(49-10)31(25)39)32(51-23(6)43)20(3)13-12-14-28(50-11)38(48)18-27(52-36(47)40-38)21(4)33-37(29,7)54-33/h12-16,19,21-22,27-29,32-33,48H,17-18H2,1-11H3,(H,40,47)/b14-12+,20-13+/t21-,22-,27+,28-,29+,32-,33+,37+,38+/m1/s1
InChIKey: YKGZBVAXZWNQKS-PTIRMQCDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colubrina texensis | Colubrina | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 778.2959999999999
TPSA？: 186.26
MolLogP？: 4.436600000000003
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|