Spektraris NMR
Raspacionin-A
Common Name: Raspacionin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H56O8/c1-21-11-12-27-33(19-20-34(37,42-33)29(6,7)41-27)31(21,9)17-13-24-30(8)16-14-25(38-22(2)35)28(4,5)40-26(30)15-18-32(24,10)39-23(3)36/h21,24-27,37H,11-20H2,1-10H3/t21-,24+,25+,26-,27-,30-,31-,32+,33+,34+/m1/s1
InChIKey: InChIKey=KXNIVDALPZHIQT-HDIAAEFTSA-N
Formula: C34H56O8
Molecular Weight: 592.804942
Exact Mass: 592.397519
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cimino, G., Crispino, A., Epifanio, R.d.A., Madaio, A., Mattia, C.A., Mazzarella, L., Puliti, R., Trivellone, E., Uriz, M. Tetrahedron (1992) 48, 9013-22
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sodwananes; 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 |
|---|---|
| 2 (C) | 77.4 |
| 3 (C) | 105.64 |
| 4 (CH2) | 31.33 |
| 5 (CH2) | 23.41 |
| 6 (C) | 90.84 |
| 7 (CH) | 71.26 |
| 8 (CH2) | 28.52 |
| 9 (CH2) | 27.66 |
| 10 (CH) | 39.93 |
| 11 (C) | 41.04 |
| 12 (CH2) | 32.65 |
| 13 (CH2) | 25.14 |
| 14 (CH) | 51.43 |
| 15 (C) | 85.02 |
| 16 (CH2) | 33.43 |
| 17 (CH2) | 26.76 |
| 18 (CH) | 70.79 |
| 19 (C) | 41.34 |
| 20 (CH2) | 36.33 |
| 21 (CH2) | 26.22 |
| 22 (CH) | 80.8 |
| 23 (C) | 74.97 |
| 24 (CH3) | 18.41 |
| 25 (CH3) | 24.85 |
| 26 (CH3) | 18.81 |
| 27 (CH3) | 15.14 |
| 28 (CH3) | 25.14 |
| 29 (CH3) | 20.68 |
| 30 (CH3) | 24.21 |
| 31 (CH3) | 23.21 |
| 15a (C) | 170.78 |
| 15b (CH3) | 23.41 |
| 22a (C) | 171.15 |
| 22b (CH3) | 21.45 |
