6-(9'-Purine-6',8'-diolyl)-2β-suberosanone

6-(9'-Purine-6',8'-diolyl)-2β-suberosanone

Common Name: 6-(9'-Purine-6',8'-diolyl)-2β-suberosanone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26N4O3/c1-10-4-5-11-12-6-14(25)13(20(10,12)8-19(11,2)3)7-24-16-15(23-18(24)27)17(26)22-9-21-16/h9-13H,4-8H2,1-3H3,(H,23,27)(H,21,22,26)/t10-,11-,12+,13-,20-/m0/s1

InChIKey: InChIKey=BHCRQXWMNOFEEK-OWPPUKJFSA-N

Formula: C20H26N4O3

Molecular Weight: 370.446365

Exact Mass: 370.200491

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Qi, S.H., Zhang, S., Li, X., Li, Q.X. J Nat Prod (2005) 68, 1288-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Suberosanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (C) 56.7
2 (CH) 44
3 (CH2) 40.8
4 (C) 216.5
5 (CH) 52.4
6 (CH2) 41.3
7 (CH3) 16.7
8 (CH) 36.6
9 (CH2) 27
10 (CH2) 27.9
11 (CH) 49.7
12 (CH2) 48.5
13 (C) 39.7
14 (CH3) 27
15 (CH3) 34.4
2' (CH) 140.6
4' (C) 150.2
5' (C) 108.1
6' (C) 155.8
8' (C) 151.9