Peposterol
PubChem CID: 5321504
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| Compound Synonyms | Peposterol, 14-(5-ethyl-6-methylhept-5-en-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol, LMST01040261 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Constituent of sunflower seed oil (Helianthus annuus) and marrow leaves (Cucurbita pepo). Peposterol is found in fats and oils and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 697.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-(5-ethyl-6-methylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 8.9 |
| Is Pains | False |
| Molecular Formula | C29H48O |
| Prediction Swissadme | 0.0 |
| Inchi Key | STLJXSQSUAPXFX-UHFFFAOYSA-N |
| Fcsp3 | 0.8620689655172413 |
| Rotatable Bond Count | 5.0 |
| Synonyms | Peposterol, Peposterol (7,24-stigmastadienol) Acetate |
| Compound Name | Peposterol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.371 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 412.371 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 412.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.669452400000002 |
| Inchi | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20,22-23,25-27,30H,7-10,12-18H2,1-6H3 |
| Smiles | CCC(=C(C)C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients