Spektraris NMR
SJDLIJHKRINTTQ-YGFNRWEOSA-
Common Name: SJDLIJHKRINTTQ-YGFNRWEOSA-
Synonyms: SJDLIJHKRINTTQ-YGFNRWEOSA-
CAS Registry Number:
InChI: InChI=1S/C21H30O8/c1-5-12(9-22)20(27)29-14-8-21(3)15(24)7-6-13(10-23)17(21)18(25)16(14)11(2)19(26)28-4/h5,10,13-18,22,24-25H,2,6-9H2,1,3-4H3/b12-5+/t13-,14-,15+,16+,17+,18-,21-/m0/s1
InChIKey: InChIKey=SJDLIJHKRINTTQ-YGFNRWEOSA-N
Formula: C21H30O8
Molecular Weight: 410.458916
Exact Mass: 410.194068
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Braca, A., De Tommasi, N., Morelli, I.I., Pizza, C. J Nat Prod (1999) 62, 1371-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 76 |
| 2 (CH2) | 25 |
| 3 (CH2) | 28.1 |
| 4 (CH) | 47.9 |
| 5 (CH) | 32 |
| 6 (CH) | 67 |
| 7 (CH) | 58 |
| 8 (CH) | 72 |
| 9 (CH2) | 43 |
| 10 (C) | 40.7 |
| 11 (C) | 138 |
| 12 (CH2) | 125 |
| 13 (C) | 169 |
| 14 (CH3) | 12.6 |
| 15 (CH) | 204 |
| 8a (C) | 167 |
| 8b (C) | 133 |
| 8c (CH) | 142.2 |
| 8d (CH3) | 15 |
| 8e (CH2) | 58 |
| 13a (CH3) | 51.9 |
