Spektraris NMR
3-Acetyl-8-methoxy-7-angeloylingol
Common Name: 3-Acetyl-8-methoxy-7-angeloylingol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O8/c1-10-13(2)25(32)35-21-14(3)11-28-24(34-17(6)29)15(4)12-27(28,36-28)23(31)16(5)20(30)18-19(22(21)33-9)26(18,7)8/h10-11,15-16,18-22,24,30H,12H2,1-9H3/b13-10-,14-11+/t15-,16+,18-,19+,20+,21+,22-,24-,27-,28-/m0/s1
InChIKey: InChIKey=PMRTZPSKJHZOSY-PPJVXGTCSA-N
Formula: C28H40O8
Molecular Weight: 504.613475
Exact Mass: 504.272318
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ravikanth, V., Lakshmi Niranjan Reddy, V., Vijender Reddy, A., Ravinder, K., Prabhakar Rao, T., Siva Ram, T., Anand Kumar, K., Prakesh Vamanarao, D., Venkateswarlu, Y. Chem Pharm Bull (2003) 51, 431-4
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) | 31.05 |
| 2 (CH) | 29.13 |
| 3 (CH) | 76.5 |
| 4 (C) | 73.99 |
| 5 (CH) | 117.07 |
| 6 (C) | 140.42 |
| 7 (CH) | 74.67 |
| 8 (CH) | 71.68 |
| 9 (CH) | 27.22 |
| 10 (C) | 18.74 |
| 11 (CH) | 34.05 |
| 12 (CH) | 71.68 |
| 13 (CH) | 43.05 |
| 14 (C) | 213.05 |
| 15 (C) | 70.8 |
| 16 (CH3) | 17.79 |
| 17 (CH3) | 20.51 |
| 18 (CH3) | 29.51 |
| 19 (CH3) | 16.92 |
| 20 (CH3) | 14.59 |
| 3a (C) | 170.37 |
| 3b (CH3) | 15.97 |
| 7a (C) | 166.78 |
| 7b (C) | 127.68 |
| 7c (CH) | 140.42 |
| 7d (CH3) | 15.74 |
| 7ba (CH3) | 20.4 |
| 8a (CH3) | 56.24 |
