Spektraris NMR
epi-Sarcotrine B
Common Name: epi-Sarcotrine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H43NO4/c1-24(13-9-15-26(3)23-30-31(35)27(4)33(37)38-30)11-8-12-25(2)14-10-18-29-20-22-34(32(29)36)21-19-28-16-6-5-7-17-28/h5-8,11-12,15-17,20,24,30,35H,9-10,13-14,18-19,21-23H2,1-4H3/b11-8+,25-12+,26-15-/t24-,30-/m1/s1
InChIKey: InChIKey=IDGHZFLQJWBKJV-UWTBTJFKSA-N
Formula: C33H43N1O4
Molecular Weight: 517.7001
Exact Mass: 517.319209
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, Y., Hong, J., Lee, C.O., Im, K.S., Kim, N.D., Choi, J.S., Jung, J.H. J Nat Prod (2002) 65, 1307-14
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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) | 52.9 |
| 2 (CH) | 137.7 |
| 3 (C) | 140.2 |
| 4 (C) | 173.7 |
| 5 (CH2) | 26.3 |
| 6 (CH2) | 27 |
| 7 (CH2) | 40.3 |
| 8 (C) | 136.4 |
| 9 (CH3) | 16.5 |
| 10 (CH) | 126.5 |
| 11 (CH) | 126.6 |
| 12 (CH) | 139.3 |
| 13 (CH) | 38 |
| 14 (CH3) | 21.4 |
| 15 (CH2) | 38.2 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 129.8 |
| 18 (C) | 132 |
| 19 (CH3) | 24.3 |
| 20 (CH2) | 35.7 |
| 21 (CH) | 80 |
| 22 (C) | 181 |
| 23 (C) | 91.1 |
| 24 (C) | 187.8 |
| 25 (CH3) | 6 |
| 1a (CH2) | 45.2 |
| 1b (CH2) | 35.6 |
| 1c (C) | 140.2 |
| 1d (CH) | 129.6 |
| 1e (CH) | 129.8 |
| 1f (CH) | 127.6 |
| 1g (CH) | 129.8 |
| 1h (CH) | 129.6 |
