Spektraris NMR
Bacopasaponin H
Common Name: Bacopasaponin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H66O13/c1-20(2)14-22-17-50-42-18-41(19-51-42)23(29(42)21(22)3)8-9-27-39(6)12-11-28(38(4,5)26(39)10-13-40(27,41)7)54-37-34(49)35(31(46)25(16-44)53-37)55-36-33(48)32(47)30(45)24(15-43)52-36/h14,22-28,30-37,43-49H,8-13,15-19H2,1-7H3/t22-,23-,24-,25-,26+,27-,28+,30-,31-,32+,33-,34-,35+,36+,37+,39+,40-,41+,42-/m1/s1
InChIKey: InChIKey=FFMPHFWEPCKMLS-NTLRCDGGSA-N
Formula: C42H66O13
Molecular Weight: 778.967261
Exact Mass: 778.450342
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pawar, R.S., Khan, S.I., Khan, I.A. Planta Med (2007) 73, 380-3
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) | 38.9 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 89.2 |
| 4 (C) | 40 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35.8 |
| 8 (C) | 37.5 |
| 9 (CH) | 53 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 42.6 |
| 14 (C) | 54.4 |
| 15 (CH2) | 41.3 |
| 16 (C) | 106.7 |
| 17 (C) | 136.3 |
| 18 (CH2) | 66.8 |
| 19 (CH3) | 16.6 |
| 20 (C) | 127.3 |
| 21 (CH3) | 15.8 |
| 22 (CH) | 39.6 |
| 23 (CH2) | 66.5 |
| 24 (CH) | 123.3 |
| 25 (C) | 136.5 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 19.2 |
| 1' (CH) | 106.7 |
| 2' (CH) | 74.7 |
| 3' (CH) | 89.3 |
| 4' (CH) | 70.3 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.9 |
| 1'' (CH) | 106.3 |
| 2'' (CH) | 75.8 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 72 |
| 5'' (CH) | 79 |
| 6'' (CH2) | 63 |
