Spektraris NMR
Rubescensins T
Common Name: Rubescensins T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O7/c1-9-10-7-11-14(12(8-10)27-17(9)24)20-13(22)5-6-19(2,3)15(20)16(23)21(11,25)28-18(20)26-4/h10-16,18,22-23,25H,1,5-8H2,2-4H3/t10-,11-,12-,13-,14-,15+,16-,18?,20+,21-/m0/s1
InChIKey: InChIKey=NUYJBFSDWBBTBE-LYQHERHOSA-N
Formula: C21H30O7
Molecular Weight: 394.459511
Exact Mass: 394.199153
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Han, Q.B., Li, R.T., Zhang, J.X., Sun, H.D. Helv Chim Acta (2004) 87, 1119-24
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (CH) | 78.5 |
| 2 (CH2) | 29.8 |
| 3 (CH2) | 39 |
| 4 (C) | 33.3 |
| 5 (CH) | 63.1 |
| 6 (CH) | 73.2 |
| 7 (C) | 100.7 |
| 8 (CH) | 28.6 |
| 9 (CH) | 47.5 |
| 10 (C) | 45.1 |
| 11 (CH) | 73.2 |
| 12 (CH2) | 27 |
| 13 (CH) | 32.3 |
| 14 (CH2) | 29.6 |
| 15 (C) | 165.3 |
| 16 (C) | 140.9 |
| 17 (CH2) | 127 |
| 18 (CH3) | 32.4 |
| 19 (CH3) | 21.6 |
| 20 (CH) | 100.9 |
| 20a (CH3) | 53.4 |
