Spektraris NMR
3,12-diacetyl-7-benzoyl-8-nicotinylingol
Common Name: 3,12-diacetyl-7-benzoyl-8-nicotinylingol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H41NO10/c1-19-16-37-32(45-23(5)40)20(2)17-36(37,48-37)31(41)21(3)29(44-22(4)39)26-27(35(26,6)7)30(47-34(43)25-14-11-15-38-18-25)28(19)46-33(42)24-12-9-8-10-13-24/h8-16,18,20-21,26-30,32H,17H2,1-7H3/b19-16+/t20-,21+,26-,27+,28+,29+,30-,32-,36-,37-/m0/s1
InChIKey: InChIKey=YLABXLIBUBLBLD-AHYUMWNFSA-N
Formula: C37H41N1O10
Molecular Weight: 659.723591
Exact Mass: 659.273047
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ravikanth, V., Niranjan Reddy, V.L., Prabhakar Rao, T., Diwan, P.V., Ramakrishna, S., Venkateswarlu, Y. Phytochemistry (2002) 59, 331-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 31.59 |
| 2 (CH) | 29.55 |
| 3 (CH) | 76.78 |
| 4 (C) | 73.24 |
| 5 (CH) | 117.62 |
| 6 (C) | 139.24 |
| 7 (CH) | 77 |
| 8 (CH) | 73.35 |
| 9 (CH) | 31.07 |
| 10 (C) | 19.63 |
| 11 (CH) | 25.1 |
| 12 (CH) | 70.46 |
| 13 (CH) | 43.26 |
| 14 (C) | 207.41 |
| 15 (C) | 71.27 |
| 16 (CH3) | 16.89 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 29.24 |
| 19 (CH3) | 16.19 |
| 20 (CH3) | 13.3 |
| 3a (C) | 170.41 |
| 3b (CH3) | 20.93 |
| 7a (C) | 165.16 |
| 7b (C) | 133.39 |
| 7c (CH) | 129.54 |
| 7d (CH) | 128.62 |
| 7e (CH) | 130.04 |
| 7f (CH) | 128.34 |
| 7g (CH) | 129.75 |
| 8a (C) | 164.05 |
| 8b (C) | 123.51 |
| 8c (CH) | 150.58 |
| 8d (CH) | 153.36 |
| 8e (CH) | 137.37 |
| 8f (CH) | 125.84 |
| 12a (C) | 170.36 |
| 12b (CH3) | 20.44 |
