Spektraris NMR
Stemarin
Common Name: Stemarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H39NO4/c1-20(2)12-16(28-19(26)24(5)6)13-21(3)18(20)17(25)10-14-9-15-11-23(14,21)8-7-22(15,4)27/h14-18,25,27H,7-13H2,1-6H3/t14-,15+,16+,17+,18+,21+,22+,23-/m1/s1
InChIKey: InChIKey=PWYBNEALPUKKBL-BNUOPTOUSA-N
Formula: C23H39N1O4
Molecular Weight: 393.560978
Exact Mass: 393.287909
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 : Stemodanes; 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) | 42.9 |
| 2 (CH) | 69.8 |
| 3 (CH2) | 49.1 |
| 4 (C) | 35.5 |
| 5 (CH) | 46.53 |
| 6 (CH) | 69.4 |
| 7 (CH2) | 46.3 |
| 8 (CH) | 51.8 |
| 9 (C) | 50.1 |
| 10 (C) | 42.3 |
| 11 (CH2) | 38.5 |
| 12 (CH2) | 32.8 |
| 13 (C) | 72.2 |
| 14 (CH) | 46.45 |
| 15 (CH2) | 37.3 |
| 16 (CH2) | 30.3 |
| 17 (CH3) | 27.85 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 20.5 |
| 2a (C) | 157.5 |
| 2b (CH3) | 36.2 |
| 2c (CH3) | 36.2 |
