Spektraris NMR
Salvigreside D
Common Name: Salvigreside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O8/c1-16-7-6-8-21-27(4,11-9-19-10-12-33-14-19)17(2)13-22(28(16,21)5)36-26-25(32)24(31)23(30)20(35-26)15-34-18(3)29/h7,10,12,14,17,20-26,30-32H,6,8-9,11,13,15H2,1-5H3/t17-,20-,21-,22+,23-,24+,25-,26+,27+,28+/m1/s1
InChIKey: InChIKey=YJFUPLDNQJPTTQ-FBZHHMNTSA-N
Formula: C28H42O8
Molecular Weight: 506.629356
Exact Mass: 506.287968
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kawahara, N., Tamura, T., Inoue, M., Hosoe, T., Kawai, K., Sekita, S., Satake, M., Goda, Y. Phytochemistry (2004) 65, 2577-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 19 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 122.7 |
| 4 (C) | 145.8 |
| 5 (C) | 45.6 |
| 6 (CH) | 87 |
| 7 (CH2) | 36.6 |
| 8 (CH) | 35.6 |
| 9 (C) | 39.3 |
| 10 (CH) | 47.3 |
| 11 (CH2) | 40 |
| 12 (CH2) | 18.8 |
| 13 (C) | 126.8 |
| 14 (CH) | 111.8 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.6 |
| 17 (CH3) | 23.8 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 18.2 |
| 1' (CH) | 104.3 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.9 |
| 5' (CH) | 75 |
| 6' (CH2) | 64.9 |
| 6'a (C) | 172.5 |
| 6'b (CH3) | 20.8 |
