Solanidine
2237
Reference
Solanidine Structure
Systematic / IUPAC Name: (3β)-Solanid-5-en-3-ol
ID: Reference2237
Other Names:
Solanidin;
Solatubin;
Solatubine;
22R,25S-Solanidanine;
22R,25S-Solanidine
; more
Formula: C27H43NO
Class: Natural Toxins Endogenous Metabolites
Spectral Data
Solanidine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 45 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/10/2015 12:51:37 PM |
Identificators
| InChI | InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1 |
| InChI Key | JVKYZPBMZPJNAJ-OQFNDJACSA-N |
| Canonical SMILES | CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C |
| CAS | 80784 |
| Splash | |
| Other Names |
Solanidin; Solatubin; Solatubine; 22R,25S-Solanidanine; 22R,25S-Solanidine; Solanid-5-en-3β-ol; 3-β-Solanid-5-en-3-ol; Solanid-5-en-3-ol; Solanid-5-en-3-ol, (3β)- |
In Other Databases
| PubChem | 65727 |
| HMDb | HMDB03236 |
| ChEBI | CHEBI:28374 |
| ChEMBL | CHEMBL1980466 |
| ChemIDPlus | 000080784 |
| Wikipedia | Solanidine |
| KEGG | C06543 |
| ChemSpider | 59150 |