1-[(1S,3S,6S,11S,12S,16S)-7,7,12,16-tetramethyl-6-(methylamino)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadeca-8,14-dien-15-yl]ethanone
AlkaPlorer ID: AK207265
Synonym: None
IUPAC Name: 1-[(1S,3S,6S,11S,12S,16S)-7,7,12,16-tetramethyl-6-(methylamino)-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadeca-8,14-dienyl]ethanone
Structure
SMILES: CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@@H]4CC=C3C1(C)C
InChI: InChI=1S/C25H37NO/c1-16(27)17-9-11-23(5)19-8-7-18-21(2,3)20(26-6)10-12-24(18)15-25(19,24)14-13-22(17,23)4/h7,9,19-20,26H,8,10-15H2,1-6H3/t19-,20-,22+,23-,24+,25-/m0/s1
InChIKey: LUSKLCMHXMKJNA-AHBHKRADSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus balearica | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.57700000000017
TPSA？: 29.1
MolLogP？: 5.442700000000006
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|