Spektraris NMR
2-O-Acetylsalvisplendin D
Common Name: 2-O-Acetylsalvisplendin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O6/c1-13(23)27-15-8-16-19(24)26-12-22(16)6-5-21(3)20(2,18(22)9-15)10-17(28-21)14-4-7-25-11-14/h4,7-8,11,15,17-18H,5-6,9-10,12H2,1-3H3/t15-,17+,18+,20+,21-,22+/m0/s1
InChIKey: InChIKey=FTYOFJRPUCUDGZ-TZHXNMQYSA-N
Formula: C22H26O6
Molecular Weight: 386.439079
Exact Mass: 386.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fontana, G., Savona, G., Rodriguez, B. J Nat Prod (2006) 69, 1734-8
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) | 27.5 |
| 2 (CH) | 71.7 |
| 3 (CH) | 135.6 |
| 4 (C) | 139 |
| 5 (C) | 45 |
| 6 (CH2) | 29.2 |
| 7 (CH2) | 30.3 |
| 8 (C) | 83.9 |
| 9 (C) | 46.8 |
| 10 (CH) | 39.5 |
| 11 (CH2) | 44.4 |
| 12 (CH) | 69.8 |
| 13 (C) | 128.2 |
| 14 (CH) | 108.6 |
| 15 (CH) | 143.4 |
| 16 (CH) | 139 |
| 17 (CH3) | 26.5 |
| 18 (C) | 168 |
| 19 (CH2) | 70 |
| 20 (CH3) | 16.9 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21 |
