Guan-fu base Y
AlkaPlorer ID: AK000349
Synonym: None
IUPAC Name: [(1S,5R,9R,11R,16S,17R,18S)-9,10,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate
Structure
SMILES: CC(=O)OC1C[C@]2(CN3[C@@H]4[C@H]2[C@]5(C1)C3[C@]6(C([C@H]7C([C@@H]5C6(C4)CC7=C)O)O)O)C
InChI: InChI=1S/C22H29NO5/c1-9-4-20-7-12-15-19(3)5-11(28-10(2)24)6-21(15)16(20)14(25)13(9)17(26)22(20,27)18(21)23(12)8-19/h11-18,25-27H,1,4-8H2,2-3H3/t11?,12-,13+,14?,15+,16+,17?,18?,19-,20?,21-,22-/m0/s1
InChIKey: XGTNTUKODZZCGL-LFXJTNOVSA-N
Reference
PubChem CID: 22304495
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum kusnezoffii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 387.4760000000002
TPSA？: 90.23
MolLogP？: 0.4497000000000001
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|