Spektraris NMR
Hebeirubescensin J
Common Name: Hebeirubescensin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O6/c1-10-11-6-7-12-19-9-5-8-18(2,3)13(19)16(24)21(25,27-17(19)26-4)20(12,14(10)22)15(11)23/h11-17,22-25H,1,5-9H2,2-4H3/t11-,12-,13+,14+,15+,16-,17-,19+,20-,21-/m0/s1
InChIKey: InChIKey=BYTCTFURWGWTON-KVGUSAAESA-N
Formula: C21H32O6
Molecular Weight: 380.475988
Exact Mass: 380.219889
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 (CH2) | 30.4 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 41.6 |
| 4 (C) | 34.2 |
| 5 (CH) | 57.5 |
| 6 (CH) | 73.8 |
| 7 (C) | 101.6 |
| 8 (C) | 52.6 |
| 9 (CH) | 44.3 |
| 10 (C) | 39.4 |
| 11 (CH2) | 17.7 |
| 12 (CH2) | 33.1 |
| 13 (CH) | 46.8 |
| 14 (CH) | 76.1 |
| 15 (CH) | 73 |
| 16 (C) | 161.5 |
| 17 (CH2) | 109 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 22.6 |
| 20 (CH) | 103.7 |
| 20a (CH3) | 56.1 |
