Spektraris NMR
3,12-Diacetyl-7-angeloyl-8-hydroxyingol
Common Name: 3,12-Diacetyl-7-angeloyl-8-hydroxyingol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O9/c1-10-13(2)26(34)37-22-14(3)11-29-25(36-18(7)31)15(4)12-28(29,38-29)24(33)16(5)23(35-17(6)30)20-19(21(22)32)27(20,8)9/h10-11,15-16,19-23,25,32H,12H2,1-9H3/b13-10-,14-11+/t15-,16+,19+,20-,21-,22+,23+,25-,28-,29-/m0/s1
InChIKey: InChIKey=JCDHPWIMRDHSED-ADMHFPGKSA-N
Formula: C29H40O9
Molecular Weight: 532.623616
Exact Mass: 532.267233
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) | 31.58 |
| 2 (CH) | 29.53 |
| 3 (CH) | 76.6 |
| 4 (C) | 73.49 |
| 5 (CH) | 116.74 |
| 6 (C) | 138.37 |
| 7 (CH) | 70.96 |
| 8 (CH) | 69.85 |
| 9 (CH) | 29.53 |
| 10 (C) | 19.09 |
| 11 (CH) | 31.25 |
| 12 (CH) | 80.2 |
| 13 (CH) | 43.09 |
| 14 (C) | 207.5 |
| 15 (C) | 71.03 |
| 16 (CH3) | 16.58 |
| 17 (CH3) | 17.78 |
| 18 (CH3) | 29.23 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 13.35 |
| 3a (C) | 170.55 |
| 3b (CH3) | 20.97 |
| 7a (C) | 166.94 |
| 7b (C) | 127.72 |
| 7c (CH) | 138.38 |
| 7d (CH3) | 15.75 |
| 7ba (CH3) | 20.34 |
| 12a (C) | 170.24 |
| 12b (CH3) | 20.48 |
