Spektraris NMR
10-Acetoxy-4-acety1-21-oxo-28-hydroraspacionin
Common Name: 10-Acetoxy-4-acety1-21-oxo-28-hydroraspacionin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O9/c1-22(37)41-28-15-19-34(9)26(36(11,43-24(3)39)21-17-30(34)45-32(28,6)7)13-12-25-33(8)18-14-27(40)31(4,5)44-29(33)16-20-35(25,10)42-23(2)38/h25-26,28-30H,12-21H2,1-11H3/t25-,26-,28-,29-,30-,33-,34-,35+,36-/m0/s1
InChIKey: InChIKey=XQGRBEFGYOLENY-FQZZYTAZSA-N
Formula: C36H58O9
Molecular Weight: 634.8417
Exact Mass: 634.408083
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ciavatta, M.L., Scognamiglio, G., Trivellone, E., Bisogno, T., Cimino, G. Tetrahedron (2002) 58, 4943-8
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) | 77.5 |
| 3 (CH) | 78.8 |
| 4 (CH2) | 23.1 |
| 5 (CH2) | 35.9 |
| 6 (C) | 42.8 |
| 7 (CH) | 76.1 |
| 8 (CH2) | 30.3 |
| 9 (CH2) | 35.4 |
| 10 (C) | 87.1 |
| 11 (CH) | 55.6 |
| 12 (CH2) | 28 |
| 13 (CH2) | 28.8 |
| 14 (CH) | 57.8 |
| 15 (C) | 83.8 |
| 16 (CH2) | 32.9 |
| 17 (CH2) | 26.5 |
| 18 (CH) | 80.9 |
| 19 (C) | 42 |
| 20 (CH2) | 39.9 |
| 21 (CH2) | 35.1 |
| 22 (C) | 217.6 |
| 23 (C) | 82.4 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 28.8 |
| 26 (CH3) | 13.1 |
| 27 (CH3) | 19.9 |
| 28 (CH3) | 24.6 |
| 29 (CH3) | 12.3 |
| 30 (CH3) | 20.4 |
| 31 (CH3) | 26.3 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.3 |
| 10a (C) | 169.9 |
| 10b (CH3) | 22.9 |
| 15a (C) | 169.9 |
| 15b (CH3) | 22.4 |
