200,000+ products from a single source!
sales@angenechem.com
114350-59-3 | Dibenz[a,j]anthracene-3,4-diol, 3,4-dihydro-7,14-dimethyl-, diacetate, trans- (9CI)
CAS No: 114350-59-3 Catalog No: AG000B4Y MDL No:
Product Description
Catalog Number:
AG000B4Y
Chemical Name:
Dibenz[a,j]anthracene-3,4-diol, 3,4-dihydro-7,14-dimethyl-, diacetate, trans- (9CI)
CAS Number:
114350-59-3
Molecular Formula:
C28H24O4
Molecular Weight:
424.4878
IUPAC Name:
[(7S,8S)-8-acetyloxy-2,13-dimethyl-7-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,13,15,17,19,21-decaenyl] acetate
InChI:
InChI=1S/C28H24O4/c1-15-20-10-9-19-7-5-6-8-22(19)26(20)16(2)27-21(15)11-12-24-23(27)13-14-25(31-17(3)29)28(24)32-18(4)30/h5-14,25,28H,1-4H3/t25-,28-/m0/s1
InChI Key:
QEMVFRITIIBAJV-LSYYVWMOSA-N
SMILES:
CC(=O)O[C@H]1[C@@H](C=Cc2c1ccc1c2c(C)c2c(c1C)ccc1c2cccc1)OC(=O)C
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
424.167g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.496g/mol
Monoisotopic Mass:
424.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.