24-Methyl-lanost-9(11)-en-3-beta-ol
PubChem CID: 157009885
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| Compound Synonyms | 24-Methyl-lanost-9(11)-en-3-beta-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | RRYHVRAFXQQACG-OFWLWUCKSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Compound Name | 24-Methyl-lanost-9(11)-en-3-beta-ol |
| Description | 24-methyl-lanost-9(11)-en-3-beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24-methyl-lanost-9(11)-en-3-beta-ol can be found in a number of food items such as yellow bell pepper, green bell pepper, pepper (c. annuum), and red bell pepper, which makes 24-methyl-lanost-9(11)-en-3-beta-ol a potential biomarker for the consumption of these food products. |
| Exact Mass | 440.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.402 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 797.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 440.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (3S,5R,10S,13R,14S,17R)-17-[(2R)-5,6-dimethylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,22-23,25-27,32H,10-14,16-19H2,1-9H3/t22-,23-,25?,26+,27+,29-,30-,31+/m1/s1 |
| Smiles | C[C@H](CCC(=C(C)C)C)[C@H]1CC[C@@]2([C@@]1(CC=C3C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| Xlogp | 9.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C31H52O |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all