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24514-86-1 | 16,18-Tritriacontanedione
CAS No: 24514-86-1 Catalog No: AG002OE8 MDL No:
Product Description
Catalog Number:
AG002OE8
Chemical Name:
16,18-Tritriacontanedione
CAS Number:
24514-86-1
Molecular Formula:
C33H64O2
Molecular Weight:
492.8601
IUPAC Name:
tritriacontane-16,18-dione
InChI:
InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChI Key:
BYKYTXUAKJDVPV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC
UNII:
4QUF6P7Y9C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.491g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.873g/mol
Monoisotopic Mass:
492.491g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.5
Literature
| Title | Journal |
|---|---|
| Chemical composition of the epicuticular wax from the fruits of Eucalyptus globulus. | Phytochemical analysis : PCA 20050101 |
| Effects of n-tritriacontane-16,18-dione, curcumin, chlorphyllin, dihydroguaiaretic acid, tannic acid and phytic acid on the initiation stage in a rat multi-organ carcinogenesis model. | Cancer letters 19970226 |
| Modifying effects of the naturally occurring antioxidants gamma-oryzanol, phytic acid, tannic acid and n-tritriacontane-16, 18-dione in a rat wide-spectrum organ carcinogenesis model. | Carcinogenesis 19911001 |
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