(Z)-15-(3,5-Dimethoxyphenyl)pentadec-5-ene - CAS 34809-61-5
Catalog: |
BB067296 |
Product Name: |
(Z)-15-(3,5-Dimethoxyphenyl)pentadec-5-ene |
CAS: |
34809-61-5 |
Synonyms: |
(Z)-1,3-Dimethoxy-5-(10-pentadecenyl)benzene; 1,3-Dimethoxy-5-(10Z)-10-pentadecen-1-ylbenzene |
IUPAC Name: | 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene |
Description: | (Z)-15-(3,5-Dimethoxyphenyl)pentadec-5-ene is an intermediate in the synthesis of Belamcandol B (B131200), a compound isolated from the seeds of B. |
Molecular Weight: | 346.55 |
Molecular Formula: | C23H38O2 |
Canonical SMILES: | CCCCC=CCCCCCCCCCC1=CC(=CC(=C1)OC)OC |
InChI: | InChI=1S/C23H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24-2)20-23(19-21)25-3/h7-8,18-20H,4-6,9-17H2,1-3H3/b8-7- |
InChI Key: | VNUMDBCQWDYHOF-FPLPWBNLSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | Colourless Oil |
References: | Ali, Z., et al. Phytochem., 72, 2075 (2011); Buddhasukh. D., et al. Aus. J. Chem., 24, 2655 (1971). |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 346.287180451 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 346.287180451 |
Rotatable Bond Count: | 15 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.8 |
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