Spektraris NMR
Splenolide B
Common Name: Splenolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O7/c1-12(23)28-18-17(13-7-9-26-10-13)29-20(25)14-6-8-22-11-27-19(24)15(22)4-3-5-16(22)21(14,18)2/h3-4,7,9-10,14-18H,5-6,8,11H2,1-2H3/t14-,15+,16-,17+,18+,21+,22-/m1/s1
InChIKey: InChIKey=WDVBPYKPIRZUOT-LZOWASGDSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hu, D.P., Kawazoe, K., Takaishi, Y. Phytochemistry (1997) 46, 781-4
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) | 19.5 |
| 2 (CH) | 129.3 |
| 3 (CH) | 120.6 |
| 4 (CH) | 52.2 |
| 5 (C) | 41.6 |
| 6 (CH2) | 32.1 |
| 7 (CH2) | 23.8 |
| 8 (CH) | 49.1 |
| 9 (C) | 39 |
| 10 (CH) | 37.9 |
| 11 (CH) | 76.4 |
| 12 (CH) | 71.5 |
| 13 (C) | 121.6 |
| 14 (CH) | 108.6 |
| 15 (CH) | 144 |
| 16 (CH) | 141.4 |
| 17 (C) | 175.4 |
| 18 (C) | 169.5 |
| 19 (CH2) | 70 |
| 20 (CH3) | 19 |
| 11a (C) | 169 |
| 11b (CH3) | 20.7 |
