Spektraris NMR
(2R*,3S*,4R*,5R*,9S*,11S*,15R*)-5,15-Diacetoxy-3-benzoyloxy-14-oxolathyra-6(17),12E-diene
Common Name: (2R*,3S*,4R*,5R*,9S*,11S*,15R*)-5,15-Diacetoxy-3-benzoyloxy-14-oxolathyra-6(17),12E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23+,24-,25+,26+,27+,31-/m1/s1
InChIKey: InChIKey=JPYYWXPAHJBKJX-KJZIZVDKSA-N
Formula: C31H38O7
Molecular Weight: 522.630396
Exact Mass: 522.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ferreira, A.M., Carvalho, L.H., Carvalho, M.J., Sequeira, M.M., Silva, A.M. Phytochemistry (2002) 61, 373-7
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) | 44 |
| 2 (CH) | 37.3 |
| 3 (CH) | 84.1 |
| 4 (CH) | 48.6 |
| 5 (CH) | 66 |
| 6 (C) | 144.7 |
| 7 (CH2) | 34.6 |
| 8 (CH2) | 21.7 |
| 9 (CH) | 35.7 |
| 10 (C) | 25.8 |
| 11 (CH) | 28.6 |
| 12 (CH) | 145.3 |
| 13 (C) | 134.5 |
| 14 (C) | 195.7 |
| 15 (C) | 93.2 |
| 16 (CH3) | 18.7 |
| 17 (CH2) | 114.1 |
| 18 (CH3) | 29 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 12.6 |
| 3a (C) | 166 |
| 3b (C) | 130.1 |
| 3c (CH) | 129.6 |
| 3d (CH) | 128.3 |
| 3e (CH) | 133.1 |
| 3f (CH) | 128.3 |
| 3g (CH) | 129.6 |
| 5a (C) | 169.7 |
| 5b (CH3) | 20.7 |
| 15a (C) | 169.9 |
| 15b (CH3) | 21.9 |
