(3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol
PubChem CID: 6284067
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| Compound Synonyms | (3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol, CHEBI:175423, 4,10,13-trimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | LPZCCMIISIBREI-GZIVZEMBSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | Epicitrostadienol, (24Z)-4alpha-methyl-5alpha-stigmasta-7,24(28)-dien-3beta-ol, (3beta,5alpha)-4-methylstigmasta-7,24(28)-dien-3-ol, (Z)-24-ethylidenelophenol, 24-ethylidene Lophenol, 24-Ethylidenelophenol, a1-Sitosterol, Citrostadienol, Sitosterol alpha1, (3b,4b,5a,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol, (3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol |
| Heavy Atom Count | 31.0 |
| Compound Name | (3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol |
| Description | Constituent of marigold flowers. |
| Exact Mass | 426.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.386 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 716.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 426.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,10,13-trimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8+ |
| Smiles | C/C=C(\CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)/C(C)C |
| Xlogp | 9.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C30H50O |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corylus Avellana (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Oenothera Biennis (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all