Spektraris NMR
Randiasaponin VI
Common Name: Randiasaponin VI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H66O14/c1-36(2)13-15-41(35(51)55-34-31(49)29(47)28(46)22(17-42)53-34)16-14-39(5)20(26(41)32(36)50)7-8-24-37(3)11-10-25(54-33-30(48)27(45)21(44)18-52-33)38(4,19-43)23(37)9-12-40(24,39)6/h7,21-34,42-50H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1
InChIKey: InChIKey=SLDDOPKHRWHRBZ-GOHQMKHISA-N
Formula: C41H66O14
Molecular Weight: 782.955931
Exact Mass: 782.445257
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sahpaz, S., Gupta, M.P., Hostettmann, K. Phytochemistry (2000) 54, 77-84
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.35 |
| 2 (CH2) | 26.29 |
| 3 (CH) | 83.43 |
| 4 (C) | 43.85 |
| 5 (CH) | 48.29 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.34 |
| 8 (C) | 40.83 |
| 9 (CH) | 48.55 |
| 10 (C) | 37.82 |
| 11 (CH2) | 24.75 |
| 12 (CH) | 124.96 |
| 13 (C) | 144.31 |
| 14 (C) | 42.67 |
| 15 (CH2) | 29.44 |
| 16 (CH2) | 28.45 |
| 17 (C) | 47.1 |
| 18 (CH) | 45.04 |
| 19 (CH) | 82.43 |
| 20 (C) | 35.92 |
| 21 (CH2) | 29.51 |
| 22 (CH2) | 33.27 |
| 23 (CH2) | 64.91 |
| 24 (CH3) | 13.36 |
| 25 (CH3) | 16.38 |
| 26 (CH3) | 17.83 |
| 27 (CH3) | 25.06 |
| 28 (C) | 178.55 |
| 29 (CH3) | 28.62 |
| 30 (CH3) | 25.2 |
| 1' (CH) | 106.27 |
| 2' (CH) | 72.92 |
| 3' (CH) | 74.48 |
| 4' (CH) | 69.72 |
| 5' (CH2) | 66.79 |
| 1'' (CH) | 95.77 |
| 2'' (CH) | 73.88 |
| 3'' (CH) | 78.64 |
| 4'' (CH) | 71.04 |
| 5'' (CH) | 78.26 |
| 6'' (CH2) | 62.36 |
