(+)-Phytone - CAS 16825-16-4
Catalog: |
BB076553 |
Product Name: |
(+)-Phytone |
CAS: |
16825-16-4 |
Synonyms: |
(6R,10R)-6,10,14-Trimethylpentadecan-2-one;(6R,10R)-6,10,14-Trimethylpentadecan-2-one; (R,R)-Phytone; Phytol Ketone; Phytone; Phytone (ketone) |
IUPAC Name: | (6R,10R)-6,10,14-trimethylpentadecan-2-one |
Description: | (+)-Phytone is an constituent of leaf essential oil of Lawsonia Inermis growing in Nepal with potential anti-microbial activities. |
Molecular Weight: | 268.48 |
Molecular Formula: | C18H36O |
Canonical SMILES: | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
InChI: | InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m1/s1 |
InChI Key: | WHWDWIHXSPCOKZ-IAGOWNOFSA-N |
Solubility: | Benzene (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Clear Colourless Oil |
Storage: | 4°C |
References: | Satyal, P., et al. Pharmacol., 1, 31 (2012). |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.276615768 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.276615768 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.9 |
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