Cefalochromin

enlarge

Systematic / IUPAC Name: 5,5',6,6',8,8'-Hexahydroxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione

ID: Reference7525

Other Names: Cephalochromin;
2,2',3,3'-Tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-9,9'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione ;
5,6,8-Trihydroxy-2-methyl-9-{5,6,8-trihydroxy-2-methyl-4-oxo-2H,3H,4H-naphtho[2,3-b]pyran-9-yl}-2H,3H,4H-naphtho[2,3-b]pyran-4-one ;
[9,9'-Bi-2H-naphtho[2,3-b]pyran]-4,4'(3H,3'H)-dione, 5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-

Formula: C28H22O10

Spectral Data

Cefalochromin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/13/2018 11:04:18 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C28H22O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h5-10,31-36H,3-4H2,1-2H3
InChI Key JGQBYBXYRUCBQY-UHFFFAOYSA-N
Canonical SMILES CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C(C=C(C5=C(C6=C(C=C54)OC(CC6=O)C)O)O)O)O)O
CAS
Splash
Other Names Cephalochromin;
2,2',3,3'-Tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-9,9'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione ;
5,6,8-Trihydroxy-2-methyl-9-{5,6,8-trihydroxy-2-methyl-4-oxo-2H,3H,4H-naphtho[2,3-b]pyran-9-yl}-2H,3H,4H-naphtho[2,3-b]pyran-4-one ;
[9,9'-Bi-2H-naphtho[2,3-b]pyran]-4,4'(3H,3'H)-dione, 5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-

In Other Databases

ChemIDPlus 025908263
PubChem 160115
ChemSpider 140746
ChEMBL CHEMBL463175