Spektraris NMR
19-(N,N-dimethylcarbamoxy)-2b,8,13-trihydroxystemarane
Common Name: 19-(N,N-dimethylcarbamoxy)-2b,8,13-trihydroxystemarane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H39NO5/c1-19(14-29-18(26)24(4)5)11-16(25)12-20(2)17(19)7-9-23(28)13-21(3,27)15-6-8-22(20,23)10-15/h15-17,25,27-28H,6-14H2,1-5H3/t15-,16+,17+,19+,20+,21-,22+,23-/m1/s1
InChIKey: InChIKey=WYAPZZYKCOBODE-LEGDUGLSSA-N
Formula: C23H39N1O5
Molecular Weight: 409.560383
Exact Mass: 409.282823
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lamm, A.S., Reynolds, W.F., Reese, P.B. Phytochemistry (2006) 67, 1088-93
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemaranes; 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) | 41.6 |
| 2 (CH) | 66.3 |
| 3 (CH2) | 43.9 |
| 4 (C) | 41.9 |
| 5 (CH) | 39.6 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 35.7 |
| 8 (C) | 76.3 |
| 9 (C) | 56.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 27.7 |
| 12 (CH) | 47.1 |
| 13 (C) | 73.6 |
| 14 (CH2) | 50.2 |
| 15 (CH3) | 28.6 |
| 16 (CH2) | 32.5 |
| 17 (CH2) | 24.5 |
| 18 (CH2) | 73.5 |
| 19 (CH3) | 27.5 |
| 20 (CH3) | 21.1 |
| 18a (C) | 157.7 |
| 18b (CH3) | 36 |
| 18c (CH3) | 36 |
