Spektraris NMR
Rubescensin I
Common Name: Rubescensin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-12(10-21)13-4-6-15-14(18(13)24)5-7-16-19(15,2)9-8-17(23)20(16,3)11-22/h5,13,15-18,21-24H,1,4,6-11H2,2-3H3/t13-,15+,16-,17+,18+,19-,20+/m0/s1
InChIKey: InChIKey=OCSPOCDQHVVGDZ-UFANPLCHSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
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, 1007-15
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 (CH2) | 38.1 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 74.1 |
| 4 (C) | 43.3 |
| 5 (CH) | 43 |
| 6 (CH2) | 23.4 |
| 7 (CH) | 124.3 |
| 8 (C) | 141.2 |
| 9 (CH) | 48.5 |
| 10 (C) | 35.1 |
| 11 (CH2) | 23.9 |
| 12 (CH2) | 25.7 |
| 13 (CH) | 47.6 |
| 14 (CH) | 74.8 |
| 15 (C) | 152.8 |
| 16 (CH2) | 64.6 |
| 17 (CH2) | 110.8 |
| 18 (CH3) | 66.1 |
| 19 (CH2) | 13 |
| 20 (CH3) | 15 |
