N-[(1R,3R,6R,8S,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-18-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]butanamide
AlkaPlorer ID: AK226904
Synonym: None
IUPAC Name: N-[(1R,3R,6R,8S,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-18-oxo-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butanamide
Structure
SMILES: CCCC(O)=N[C@@H]1CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]3C1(C)C
InChI: InChI=1S/C30H50N2O2/c1-9-10-25(34)31-23-14-16-29-18-30(29)22(12-11-21(29)26(23,3)4)27(5)15-13-20(19(2)32(7)8)28(27,6)17-24(30)33/h19-23H,9-18H2,1-8H3,(H,31,34)/t19-,20+,21+,22-,23+,27-,28+,29+,30-/m0/s1
InChIKey: LTGGNRAWDQDJNH-UPMAXNIISA-N
Reference
Alkaloids ofBuxus balearica. II
PubChem CID: 162933184
LOTUS: LTS0259766
SuperNatural Ⅲ: SN0214804-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus balearica | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 470.7420000000003
TPSA？: 52.900000000000006
MolLogP？: 6.679800000000008
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|