Rottlerin

Rottlerin bmse001266 - Data

Rottlerin synonyms

Wikipedia:

Graphical representations:

rottlerin

View large 3D structure

Molecular Formula: C30H28O8

Natural Isotopic Abundance Mass: 516.53852

Mono-Isotopic Molecular Masses:

  • C12N14: 516.178417856
  • C13N14: 546.279062996
  • C12N15: 516.178417856
  • C13N15: 546.279062996

InChI string: InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+

IUPAC: 1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one

PubChem Compound (CID): 5281847
NSC:

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)