Spektraris NMR
BLTMVAIOAAGYAR-FDENTGNSSA-N
Common Name: BLTMVAIOAAGYAR-FDENTGNSSA-N
Synonyms: BLTMVAIOAAGYAR-FDENTGNSSA-N
CAS Registry Number:
InChI: InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13+,14+,15+,17+,20+,21+/m1/s1
InChIKey: InChIKey=BLTMVAIOAAGYAR-FDENTGNSSA-N
Formula: C21H26O7
Molecular Weight: 390.427748
Exact Mass: 390.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, Z., Lee, D.Y.W. Tetrahedron Lett (2008) 49, 1782-5
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 (C) | 209.2 |
| 2 (CH) | 74.4 |
| 3 (CH2) | 33.8 |
| 4 (CH) | 52.3 |
| 5 (C) | 42.6 |
| 6 (CH2) | 34.2 |
| 7 (CH2) | 17.5 |
| 8 (CH) | 45.2 |
| 9 (C) | 34.5 |
| 10 (CH) | 63.6 |
| 11 (CH2) | 48.2 |
| 12 (CH) | 70 |
| 13 (C) | 123.5 |
| 14 (CH) | 108.4 |
| 15 (CH) | 143.6 |
| 16 (CH) | 139.6 |
| 17 (C) | 173.4 |
| 18 (C) | 172.1 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 24.6 |
| 18a (CH3) | 51.6 |
