Spektraris NMR
Rubescensins S
Common Name: Rubescensins S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O7/c1-9(21)10-4-5-11-18-8-26-20(25)15(27-16(24)19(11,20)14(10)23)13(18)17(2,3)7-6-12(18)22/h10-15,22-23,25H,4-8H2,1-3H3/t10-,11-,12-,13+,14+,15-,18+,19+,20+/m0/s1
InChIKey: InChIKey=GYOGRQYLXXCRLH-RPLMOEDUSA-N
Formula: C20H28O7
Molecular Weight: 380.432894
Exact Mass: 380.183503
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) | 73.2 |
| 2 (CH2) | 29.9 |
| 3 (CH2) | 38.9 |
| 4 (C) | 33 |
| 5 (CH) | 57.3 |
| 6 (CH) | 80.6 |
| 7 (C) | 101.1 |
| 8 (C) | 50.1 |
| 9 (CH) | 52.4 |
| 10 (C) | 41.3 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 48.6 |
| 14 (CH) | 66.7 |
| 15 (C) | 177 |
| 16 (C) | 211.2 |
| 17 (CH3) | 30.2 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 21.3 |
| 20 (CH2) | 64.3 |
