Spektraris NMR
Aglaiaglabretol B
Common Name: Aglaiaglabretol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O6/c1-9-19(2)28(37)40-26-12-13-32(7)23-11-14-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)15-10-21(34)20-16-22(39-29(20)38)27-31(5,6)41-27/h9,20-27,29,36,38H,10-18H2,1-8H3/b19-9+/t20-,21-,22+,23+,24-,25+,26-,27+,29+,32+,33-,34+,35+/m0/s1
InChIKey: InChIKey=OJTIBMZXQHXUNC-PLCBWOSISA-N
Formula: C35H54O6
Molecular Weight: 570.800987
Exact Mass: 570.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, B.N., Chai, H., Mi, Q., Riswan, S., Kardono, L.B.S., Afriastini, J.J., Santarsiero, B.D., Mesecar, A.D., Farnsworth, N.R., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. Bioorg Med Chem (2006) 14, 960-72
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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 (CH2) | 38.17 |
| 2 (CH2) | 23.51 |
| 3 (CH) | 80.66 |
| 4 (C) | 37.58 |
| 5 (CH) | 46.16 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 74.25 |
| 8 (C) | 38.91 |
| 9 (CH) | 43.99 |
| 10 (C) | 37.25 |
| 11 (CH2) | 16.22 |
| 12 (CH2) | 25.94 |
| 13 (C) | 28.58 |
| 14 (C) | 36.01 |
| 15 (CH2) | 25.29 |
| 16 (CH2) | 25.98 |
| 17 (CH) | 48.22 |
| 18 (CH2) | 13.59 |
| 19 (CH3) | 15.85 |
| 20 (CH) | 50.66 |
| 21 (CH) | 102.16 |
| 22 (CH2) | 32.82 |
| 23 (CH) | 77.34 |
| 24 (CH) | 65.35 |
| 25 (C) | 57.25 |
| 26 (CH3) | 24.94 |
| 27 (CH3) | 19.42 |
| 28 (CH3) | 27.82 |
| 29 (CH3) | 16.88 |
| 30 (CH3) | 19.47 |
| 3a (C) | 167.79 |
| 3b (C) | 129.27 |
| 3c (CH) | 136.48 |
| 3d (CH3) | 14.31 |
| 3ba (CH3) | 12.09 |
