Spektraris NMR
8-epi-Splenolide B
Common Name: 8-epi-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+/m0/s1
InChIKey: InChIKey=WDVBPYKPIRZUOT-DAVFDINGSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fontana, G., Savona, G., Rodriguez, B., Dersch, C.M., Rothman, R.B., Prisinzano, T.E. Tetrahedron (2008) 64, 10041-8
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) | 21.8 |
| 2 (CH) | 128.9 |
| 3 (CH) | 120.9 |
| 4 (CH) | 52.4 |
| 5 (C) | 40.9 |
| 6 (CH2) | 34.7 |
| 7 (CH2) | 18.6 |
| 8 (CH) | 43.2 |
| 9 (C) | 39.2 |
| 10 (CH) | 39.4 |
| 11 (CH) | 74.2 |
| 12 (CH) | 78.6 |
| 13 (C) | 124.1 |
| 14 (CH) | 108.3 |
| 15 (CH) | 144 |
| 16 (CH) | 139.4 |
| 17 (C) | 170.7 |
| 18 (C) | 175.2 |
| 19 (CH2) | 69.6 |
| 20 (CH3) | 15.2 |
| 11a (C) | 169.9 |
| 11b (CH3) | 21 |
