Rubijervine
(1S,2R,7S,10R,11S,13S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene-7,13-diol
Also Known As: Rubijervine|Rubigervine|Rubijervin|Rubijiervine|tetramethyl[?]diol|RUBIJERVINE [MI]|Rubijervine (Rubigervine)|DICHLORISONE ACETATE|Solanid-5-ene-3beta,12alpha-diol|Solanid-5-en-3beta,12alpha-diol|Solanid-5-ene-3-beta,12-alpha-diol|Solanid-5-ene-3.beta.,12.alpha.-diol|Solanid-5-en-3.beta.,12.alpha.-diol|delta5-3beta,12alpha-Dihydroxysolanidene|5-21-05-00208 (Beilstein Handbook Reference)|delta(sup 5)-3-beta,12-alpha-Dihydroxysolanidene|NCI60_041674|delta-5-3beta,12alpha-dihydroxysolanidene|Solanid-5-ene-3,12-diol,(3b,12a)-|Solanid-5-ene-3beta,12alpha-diol (8CI)|delta-5-3-beta,12alpha-dihydroxysolanidene|delta5-3-beta,12-alpha-Dihydroxysolanidene|(3Beta,12alpha)-solanid-5-ene-3,12-diol|Solanid-5-ene-3, (3.beta.,12.alpha.)-|Solanid-5-ene-3,12-diol, (3-beta,12-alpha)-|(3-beta,12-alpha)-Solanid-5-ene-3,12-diol|Solanid-5-ene-3,12-diol, (3.beta.,12.alpha.)-|Solanid-5-ene-3,12-diol, (3beta,12alpha)-|.delta.5-3-.beta.,12-.alpha.-Dihydroxysolanidene
| Molecular Formula | C27H43NO2 |
|---|---|
| Molecular Weight | 413.32938 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 413.32938 |
| Monoisotopic Mass | 413.32938 |
| Heavy Atoms | 30 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 79-58-3 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)O)C)C |
| InChIKey | AANKDJLVHZQCFG-KVHNBARJSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rubijervine (CAS 79-58-3), with molecular formula C27H43NO2 and molecular weight 413.32938 g/mol. IUPAC: (1S,2R,7S,10R,11S,13S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene-7,13-diol.