Spektraris NMR
Hebeirubescensin B
Common Name: Hebeirubescensin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O7/c1-5-6-7-12-31-21-23-15-9-8-14-13(2)18(27)24(15,19(14)28)25(30,32-21)20(29)17(23)22(3,4)11-10-16(23)26/h14-17,19-21,26,28-30H,2,5-12H2,1,3-4H3/t14-,15-,16-,17+,19+,20-,21-,23-,24-,25-/m0/s1
InChIKey: InChIKey=ZLYCLAHOJNOIEQ-XMEBOYOWSA-N
Formula: C25H38O7
Molecular Weight: 450.565981
Exact Mass: 450.261754
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) | 75.4 |
| 2 (CH2) | 31 |
| 3 (CH2) | 39.5 |
| 4 (C) | 34.1 |
| 5 (CH) | 60.1 |
| 6 (CH) | 74.7 |
| 7 (C) | 99.7 |
| 8 (C) | 62.2 |
| 9 (CH) | 53.7 |
| 10 (C) | 43.7 |
| 11 (CH2) | 23.3 |
| 12 (CH2) | 31.3 |
| 13 (CH) | 44.4 |
| 14 (CH) | 73.7 |
| 15 (C) | 210.2 |
| 16 (C) | 153.3 |
| 17 (CH2) | 118.7 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 22.3 |
| 20 (CH) | 102.3 |
| 20a (CH2) | 67.6 |
| 20b (CH2) | 38.7 |
| 20c (CH2) | 25.4 |
| 20d (CH2) | 22.5 |
| 20e (CH3) | 22.4 |
