(6S,8R,11R,12S,14R,15S,16R)-6-benzamido-7,7,12,16-tetramethyl-15-[(1S)-1-(methylamino)ethyl]tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-14-yl acetate
AlkaPlorer ID: AK191896
Synonym: None
IUPAC Name: [(6S,8R,11R,12S,14R,15S,16R)-6-benzamido-7,7,12,16-tetramethyl-15-[(1S)-1-(methylamino)ethyl]-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl] acetate
Structure
SMILES: CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N=C(O)C1=CC=CC=C1)C4(C)C
InChI: InChI=1S/C34H48N2O3/c1-21(35-7)30-28(39-22(2)37)20-34(6)27-15-14-26-24(19-25(27)17-18-33(30,34)5)13-16-29(32(26,3)4)36-31(38)23-11-9-8-10-12-23/h8-12,17,19,21,26-30,35H,13-16,18,20H2,1-7H3,(H,36,38)/t21-,26+,27+,28+,29-,30-,33+,34-/m0/s1
InChIKey: PAYBPGDQZXJNMH-MYKLHEQQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus balearica | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 532.7690000000002
TPSA？: 70.92
MolLogP？: 7.034600000000008
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|