Spirosolan-3-ol
PubChem CID: 312827
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| Compound Synonyms | Spirosolan-3-ol, 5alpha-Tomatidan-3beta-ol, Spirosolan-3-ol #, 79464-64-5, 5a-Tomatidan-3b-ol, 8CI, 5.alpha.-Tomatidan-3.beta.-ol, 5alpha-Tomatidan-3beta-ol (8CI), Spirosolan-3-ol,5.alpha.,22.beta.,25S)-, Dihydrosolasodine isomer, 5alpha -Tomatidan-3beta -ol, SCHEMBL10098324, DTXSID50859106, XYNPYHXGMWJBLV-UHFFFAOYSA-N, BCP13250, NSC224427, NSC226903, NSC-224427, AS-77873, DB-050182, Spirosolan-3-ol, (3beta ,5alpha ,22beta ,25S)-, Spirosolan-3-ol, (3beta,5alpha,22beta,25S)- (9CI), Spirosolan-3-ol, (3alpha ,22alpha -Tomatidan-3beta -ol, 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol |
|---|---|
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Description | Alkaloid from Lycopersicon esculentum (tomato). Tomatidine is found in garden tomato, garden tomato (variety), and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 696.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 6.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Steroidal alkaloids |
| Molecular Formula | C27H45NO2 |
| Inchi Key | XYNPYHXGMWJBLV-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | (22S,25S)-5alpha-spirosolan-3beta-ol, (3beta,5alpha,22beta,25S)-spirosolan-3-ol, (3beta,5alpha,25S)-spirosolan-3-ol, 5&alpha, -Tomatidan-3&beta, -ol, 5a-Tomatidan-3b-ol, 8CI, 5alpha-tomatidan-3beta-ol, 5alpha-Tomatidan-3beta-ol (8CI), Spirosolan-3-ol, Spirosolan-3-ol, (3&alpha, ,22&alpha, -Tomatidan-3&beta, -ol, Spirosolan-3-ol, (3&beta, ,5&alpha, ,22&beta, ,25S)-, Spirosolan-3-ol, (3beta,5alpha,22beta,25S)-, Spirosolan-3-ol, (3beta,5alpha,22beta,25S)- (9CI), Tomatidin, Tomatidine, (22S,25S)-5alpha-Spirosolan-3beta-ol, (3beta,5alpha,22beta,25S)-Spirosolan-3-ol, (3beta,5alpha,25S)-Spirosolan-3-ol, 5a-Tomatidan-3b-ol, 8ci, 5alpha -Tomatidan-3beta -ol, 5alpha-Tomatidan-3beta-ol, 5alpha-Tomatidan-3beta-ol (8ci), Spirosolan-3-ol, (3alpha ,22alpha -tomatidan-3beta -ol, Spirosolan-3-ol, (3beta,5alpha,22beta,25S)- (9ci), Soladulcidine, Tomatidine, (3beta,5alpha,22alpha,25R)-isomer, 5 alpha,20 beta(F),22 alpha(F),25 beta(F),27- Azaspirostan-3 beta-ol |
| Compound Name | Spirosolan-3-ol |
| Kingdom | Organic compounds |
| Exact Mass | 415.345 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 415.345 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 415.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3 |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Spirosolanes and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all