Spektraris NMR
Sapinmusaponin D
Common Name: Sapinmusaponin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H74O14/c1-21-30(47)32(49)34(51)36(54-21)57-35-33(50)31(48)24(20-44)55-37(35)56-29-15-17-40(6)25-12-11-22-23(43(9,52)27(45)14-16-38(2,3)53-10)13-18-41(22,7)42(25,8)28(46)19-26(40)39(29,4)5/h14,16,21-37,44-52H,11-13,15,17-20H2,1-10H3/b16-14+/t21-,22+,23-,24+,25+,26-,27?,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,40+,41+,42-,43-/m0/s1
InChIKey: InChIKey=AAVHZKFQSMDUHO-IALQZGMCSA-N
Formula: C43H74O14
Molecular Weight: 815.040928
Exact Mass: 814.507857
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Huang, H.C., Yang Kuo, L.M., Hsu, Y.W., Lee, K.H., Chang, F.R., Wu, Y.C. J Agric Food Chem (2005) 53, 4722-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 40.39 |
| 2 (CH2) | 27.44 |
| 3 (CH) | 90.03 |
| 4 (C) | 40.25 |
| 5 (CH) | 55.45 |
| 6 (CH2) | 29.08 |
| 7 (CH) | 75.94 |
| 8 (C) | 47.34 |
| 9 (CH) | 51.87 |
| 10 (C) | 37.88 |
| 11 (CH2) | 22.58 |
| 12 (CH2) | 26.41 |
| 13 (CH) | 44.35 |
| 14 (C) | 50.43 |
| 15 (CH2) | 35.39 |
| 16 (CH2) | 28.67 |
| 17 (CH) | 46.23 |
| 18 (CH3) | 10.5 |
| 19 (CH3) | 16.9 |
| 20 (C) | 78.59 |
| 21 (CH3) | 18.86 |
| 22 (CH) | 78.52 |
| 23 (CH) | 130.85 |
| 24 (CH) | 138.83 |
| 25 (C) | 76.43 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 26.19 |
| 28 (CH3) | 28.39 |
| 29 (CH3) | 17.11 |
| 30 (CH3) | 16.62 |
| 1' (CH) | 105.56 |
| 2' (CH) | 78.94 |
| 3' (CH) | 79.48 |
| 4' (CH) | 72.15 |
| 5' (CH) | 77.58 |
| 6' (CH2) | 62.76 |
| 1'' (CH) | 101.84 |
| 2'' (CH) | 72.02 |
| 3'' (CH) | 72.02 |
| 4'' (CH) | 73.95 |
| 5'' (CH) | 69.97 |
| 6'' (CH3) | 17.98 |
| 25a (CH3) | 50.78 |
