Spektraris NMR
11-Deacetylscutalpin D
Common Name: 11-Deacetylscutalpin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O9/c1-6-16(2)22(31)35-20-11-23(4)24(5,19(29)10-25(36-23)12-21(30)33-13-25)18-8-7-9-26(14-34-26)27(18,20)15-32-17(3)28/h6,18-20,29H,7-15H2,1-5H3/b16-6+/t18-,19+,20+,23+,24+,25+,26+,27+/m1/s1
InChIKey: InChIKey=GLMSILQFAKZQCG-NYDLLHHLSA-N
Formula: C27H38O9
Molecular Weight: 506.586262
Exact Mass: 506.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Munoz, D.M., delaTorre, M.C., Rodriguez, B., Simmonds, M.S.J., Blaney, W.M. Phytochemistry (1997) 44, 593-7
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) | 22.1 |
| 2 (CH2) | 25.1 |
| 3 (CH2) | 32.6 |
| 4 (C) | 64.9 |
| 5 (C) | 45.4 |
| 6 (CH) | 68.4 |
| 7 (CH2) | 38.5 |
| 8 (C) | 81.3 |
| 9 (C) | 42.5 |
| 10 (CH) | 43 |
| 11 (CH) | 71.6 |
| 12 (CH2) | 37.7 |
| 13 (C) | 77.7 |
| 14 (CH2) | 43.9 |
| 15 (C) | 173.3 |
| 16 (CH2) | 77.4 |
| 17 (CH3) | 24.1 |
| 18 (CH2) | 48.6 |
| 19 (CH2) | 62.3 |
| 20 (CH3) | 16.7 |
| 6a (C) | 166.9 |
| 6b (C) | 128.9 |
| 6c (CH) | 136.8 |
| 6d (CH3) | 14.2 |
| 6ba (CH3) | 12 |
| 19a (C) | 171.2 |
| 19b (CH3) | 21.2 |
