Spektraris NMR
10-Acetoxy-21-deacetyI-28-hydrorasparionin
Common Name: 10-Acetoxy-21-deacetyI-28-hydrorasparionin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H58O8/c1-21(35)39-33(9)19-15-27-31(7,17-13-25(37)29(3,4)41-27)23(33)11-12-24-32(8)18-14-26(38)30(5,6)42-28(32)16-20-34(24,10)40-22(2)36/h23-28,37-38H,11-20H2,1-10H3/t23-,24-,25-,26-,27-,28-,31-,32-,33-,34+/m0/s1
InChIKey: InChIKey=KFZNALOYOMLQGQ-GXWAAOHPSA-N
Formula: C34H58O8
Molecular Weight: 594.820824
Exact Mass: 594.413169
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cimino, G., Madaio, A., Trivellone, E., Uriz, M. J Nat Prod (1994) 57, 784-90
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) | 77.88 |
| 3 (CH) | 76.96 |
| 4 (CH2) | 25.32 |
| 5 (CH2) | 34.24 |
| 6 (C) | 42.82 |
| 7 (CH) | 75.84 |
| 8 (CH2) | 30.32 |
| 9 (CH2) | 35.49 |
| 10 (C) | 87.13 |
| 11 (CH) | 56.06 |
| 12 (CH2) | 28.17 |
| 13 (CH2) | 29.1 |
| 14 (CH) | 57.99 |
| 15 (C) | 84.25 |
| 16 (CH2) | 33.06 |
| 17 (CH2) | 26.62 |
| 18 (CH) | 76.21 |
| 19 (C) | 42.96 |
| 20 (CH2) | 34.63 |
| 21 (CH2) | 25.32 |
| 22 (CH) | 77.03 |
| 23 (C) | 77.88 |
| 24 (CH3) | 21.46 |
| 25 (CH3) | 28.9 |
| 26 (CH3) | 13.16 |
| 27 (CH3) | 19.71 |
| 28 (CH3) | 24.67 |
| 29 (CH3) | 12.92 |
| 30 (CH3) | 21.46 |
| 31 (CH3) | 29 |
| 10a (C) | 170.09 |
| 10b (CH3) | 22.88 |
| 15a (C) | 169.93 |
| 15b (CH3) | 22.4 |
