(25R)-5alpha-Spirostan-3beta-ol
PubChem CID: 219836
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| Compound Synonyms | epi-Sarsasapogenin, NSC1615, 3-Episarsasapogenin, NSC93754, Spirostan-3-ol #, 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol, NSC-1615, (25R)-5.alpha.-Spirostan-3.beta.-ol, 5.alpha.-Spirostan-3.beta.-ol, (25R)-, Spirostan-3-ol, (3.alpha.,5.beta.,25S)-, SCHEMBL330310, Sarsasapogenin(Spirostan-3-ol)?, GMBQZIIUCVWOCD-UHFFFAOYSA-N, Spirostan-3-ol,5.beta.,25S)-, Spirostan-3-ol,5.alpha.,25R)-, NSC231816, NSC232021, AKOS032947789, NSC-231816, NSC-232021, LS-15214, 5.beta.-Spirostan-3.beta.-ol, (25S)-, DB-041813 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | GMBQZIIUCVWOCD-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | Smilagenin, Sarsasapogenin, (3beta,5beta,25S)-isomer, Sarsaponin, Sarsasapogenin, Sarsasapogenin, (3beta,5alpha,25R)-isomer, Sarsasapogenin, (3beta,5beta)-isomer, Sarsasapogenin, (3beta,5beta,25R)-isomer, Epi-sarsasapogenin, Epismilagenin, Sarsasapogenin, (3beta,5alpha,25S)-isomer, Tigogenin |
| Heavy Atom Count | 30.0 |
| Compound Name | (25R)-5alpha-Spirostan-3beta-ol |
| Kingdom | Organic compounds |
| Description | Neotigonenin, also known as sarsasopogenin, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Neotigonenin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Neotigonenin can be found in fenugreek, which makes neotigonenin a potential biomarker for the consumption of this food product. |
| Exact Mass | 416.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.329 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 694.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 416.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| 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'-oxane]-16-ol |
| Total Atom Stereocenter Count | 12.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3 |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
| Xlogp | 6.5 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Triterpenoids |
| Taxonomy Direct Parent | Triterpenoids |
| Molecular Formula | C27H44O3 |
- 1. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all