Ruscogenin
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol
Also Known As: Ruscogenin|Ruscorectal|Ruscogenins CRS|Ruscorectal (TN)|25(R)-ruscogenin|Titanium(iii)chloride|(25RS)-Ruscogenin|RUSCOGENIN [MART.]|RUSCOGENIN [WHO-DD]|(25R)-spirost-5-en-1beta,3beta-diol|(1beta,3beta,25R)-Spirost-5-ene-1,3-diol|(25R)-Spirost-5-ene-1beta,3beta-diol|Ruscogenin, >=98% (HPLC)|EINECS 207-447-2|25D-Spirost-5-ene-1|A,3|A-diol|25D-Spirost-5-ene-1b,3b-diol|HY-N0496|RUSCOGENIN (REFERENCE GRADE)|AN-040|(25R)-Spirost-5-ene-1b,3b-diol|Spirost-5-ene-1,3-diol, (1b,3b,25R)-|(25R)-spirost-5-ene-1-beta,3-beta-diol|(25R)-Spirost-5-ene-1|A,3|A-diol|ruscogenin, (1beta,3alpha,25R)-isomer
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.30832 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 430.30832 |
| Monoisotopic Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 472-11-7 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1 |
| InChIKey | QMQIQBOGXYYATH-IDABPMKMSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ruscogenin (CAS 472-11-7), with molecular formula C27H42O4 and molecular weight 430.30832 g/mol. IUPAC: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol.
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