Spektraris NMR
19-Hydroxyingol-3,12,19-triacetate-8-tiglate
Common Name: 19-Hydroxyingol-3,12,19-triacetate-8-tiglate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O11/c1-10-14(2)28(37)41-25-22-21(29(22,9)13-38-18(6)32)24(39-19(7)33)17(5)26(36)30-12-16(4)27(40-20(8)34)31(30,42-30)11-15(3)23(25)35/h10-11,16-17,21-25,27,35H,12-13H2,1-9H3/b14-10+,15-11+/t16-,17+,21-,22+,23+,24+,25-,27-,29+,30-,31-/m0/s1
InChIKey: InChIKey=FQGRKBURMURZCZ-KAMUMVDHSA-N
Formula: C31H42O11
Molecular Weight: 590.659779
Exact Mass: 590.272712
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., Sanz-Cervera, J.F., Ropero, F.J., Checa, J., Fraga, B.M. Phytochemistry (1998) 49, 1095-9
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) | 31.7 |
| 2 (CH) | 29.7 |
| 3 (CH) | 77.6 |
| 4 (C) | 73.7 |
| 5 (CH) | 116.5 |
| 6 (C) | 141.5 |
| 7 (CH) | 76 |
| 8 (CH) | 73.6 |
| 9 (CH) | 23.8 |
| 10 (C) | 22 |
| 11 (CH) | 31.2 |
| 12 (CH) | 69.4 |
| 13 (CH) | 43.5 |
| 14 (C) | 207.4 |
| 15 (C) | 71.5 |
| 16 (CH3) | 17 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 24.4 |
| 19 (CH2) | 64.9 |
| 20 (CH3) | 13.4 |
| 3a (C) | 170.7 |
| 3b (CH3) | 21.2 |
| 8a (C) | 167.3 |
| 8b (C) | 138.9 |
| 8c (CH) | 128.2 |
| 8d (CH3) | 14.6 |
| 8ba (CH3) | 12.1 |
| 12a (C) | 170.6 |
| 12b (CH3) | 20.7 |
| 19a (C) | 170.3 |
| 19b (CH3) | 20.6 |
