Spektraris NMR
Salvigreside B
Common Name: Salvigreside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O9/c1-16-7-6-8-21-27(4,11-9-19(14-30)10-12-29)17(2)13-22(28(16,21)5)37-26-25(34)24(33)23(32)20(36-26)15-35-18(3)31/h7,10,17,20-26,29-30,32-34H,6,8-9,11-15H2,1-5H3/b19-10-/t17-,20-,21-,22+,23-,24+,25-,26+,27+,28+/m1/s1
InChIKey: InChIKey=RSZZOUVSUWTJFR-XUGGPFTNSA-N
Formula: C28H46O9
Molecular Weight: 526.660524
Exact Mass: 526.314183
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) | 122.8 |
| 4 (C) | 145.8 |
| 5 (C) | 45.5 |
| 6 (CH) | 87.1 |
| 7 (CH2) | 36.7 |
| 8 (CH) | 35.7 |
| 9 (C) | 39.3 |
| 10 (CH) | 47.3 |
| 11 (CH2) | 38.4 |
| 12 (CH2) | 28.9 |
| 13 (C) | 143.7 |
| 14 (CH) | 127.3 |
| 15 (CH2) | 58.8 |
| 16 (CH2) | 60.2 |
| 17 (CH3) | 23.8 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 18.4 |
| 1' (CH) | 104.3 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.5 |
| 4' (CH) | 72 |
| 5' (CH) | 75.1 |
| 6' (CH2) | 65 |
| 6'a (C) | 172.6 |
| 6'b (CH3) | 20.9 |
