(1S,3R,6S,8R,11R,12S,15S,16R)-N,7,7,12,16-pentamethyl-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-amine
AlkaPlorer ID: AK228520
Synonym: None
IUPAC Name: (1S,3R,6S,8R,11R,12S,15S,16R)-N,7,7,12,16-pentamethyl-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-amine
Structure
SMILES: CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C
InChI: InChI=1S/C26H46N2/c1-17(27-6)18-10-12-24(5)20-9-8-19-22(2,3)21(28-7)11-13-25(19)16-26(20,25)15-14-23(18,24)4/h17-21,27-28H,8-16H2,1-7H3/t17-,18+,19-,20+,21-,23+,24-,25+,26-/m0/s1
InChIKey: AXGWYABSYNCIMX-KYLYZQCDSA-N
Reference
Alkaloids of Buxus wallichiana
PubChem CID: 163103066
LOTUS: LTS0195912
SuperNatural Ⅲ: SN0017833-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus wallichiana | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 386.6680000000003
TPSA？: 24.06
MolLogP？: 5.621400000000006
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|