delta-5,7,22-Cholestatrienol
PubChem CID: 157009921
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| Compound Synonyms | delta-5,7,22-Cholestatrienol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | RQOCXCFLRBRBCS-YWGHNDMRSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Compound Name | delta-5,7,22-Cholestatrienol |
| Description | Delta-5,7,22-cholestatrienol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Delta-5,7,22-cholestatrienol can be found in cardamom, which makes delta-5,7,22-cholestatrienol a potential biomarker for the consumption of this food product. |
| Exact Mass | 382.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.324 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 682.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 382.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3S,10R,13R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,18-19,21,23-25,28H,7,11-17H2,1-5H3/b8-6+/t19-,21+,23?,24?,25?,26+,27-/m1/s1 |
| Smiles | C[C@H](/C=C/CC(C)C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| Xlogp | 7.1 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C27H42O |
- 1. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:fooddb_chem_all