Spektraris NMR
Hebeirubescensin A
Common Name: Hebeirubescensin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-12-14-7-8-15-24-16-9-10-23(3,4)18(24)21(30)26(31,25(15,19(12)28)20(14)29)35-22(24)34-17(33-16)6-5-11-32-13(2)27/h14-18,20-22,29-31H,1,5-11H2,2-4H3/t14-,15-,16-,17+,18+,20+,21-,22-,24-,25-,26-/m0/s1
InChIKey: InChIKey=NOFBQANZYLKOHD-CASYHKESSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Zhou, Y., Pu, J.X., Li, R.T., Li, M., Xiao, W.L., Lou, L.G., Han, Q.B., Ding, L.S., Peng, S.L., Sun, H.D. Tetrahedron (2006) 62, 4941-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 76.7 |
| 2 (CH2) | 22.7 |
| 3 (CH2) | 38.3 |
| 4 (C) | 38.6 |
| 5 (CH) | 57.5 |
| 6 (CH) | 75.5 |
| 7 (C) | 100.5 |
| 8 (C) | 61.8 |
| 9 (CH) | 53.6 |
| 10 (C) | 33.2 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 31.4 |
| 13 (CH) | 43.7 |
| 14 (CH) | 72.9 |
| 15 (C) | 208.9 |
| 16 (C) | 153.2 |
| 17 (CH2) | 119.8 |
| 18 (CH3) | 33.8 |
| 19 (CH3) | 23.3 |
| 20 (CH) | 98.4 |
| 1' (CH) | 93.6 |
| 2' (CH2) | 32.5 |
| 3' (CH2) | 25 |
| 4' (CH2) | 39.5 |
| 5' (C) | 170.9 |
| 6' (CH3) | 23.2 |
