Spektraris NMR
Solaverbascine 3b-O-solatrioside
Common Name: Solaverbascine 3b-O-solatrioside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30?,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1
InChIKey: InChIKey=QCTMYNGDIBTNSK-QPPXDYDTSA-N
Formula: C45H73N1O16
Molecular Weight: 884.060012
Exact Mass: 883.492935
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Weissenberg, M. Phytochemistry (2001) 58, 501-8
Species:
Notes: Family : Steroids, Type : Spirostanes; 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) | 37.53 |
| 2 (CH2) | 30.19 |
| 3 (CH) | 78.38 |
| 4 (CH2) | 38.84 |
| 5 (C) | 140.93 |
| 6 (CH) | 121.96 |
| 7 (CH2) | 32.3 |
| 8 (CH) | 32.19 |
| 9 (CH) | 50.52 |
| 10 (C) | 37.07 |
| 11 (CH2) | 21.12 |
| 12 (CH2) | 40.44 |
| 13 (C) | 42.75 |
| 14 (CH) | 55.19 |
| 15 (CH2) | 35.61 |
| 16 (CH) | 71.21 |
| 17 (CH) | 59.22 |
| 18 (CH3) | 13.48 |
| 19 (CH3) | 19.42 |
| 20 (CH) | 37.07 |
| 21 (CH3) | 17.19 |
| 22 (C) | 61.77 |
| 23 (CH2) | 28.9 |
| 24 (CH2) | 34.32 |
| 25 (CH) | 31.95 |
| 26 (CH2) | 54.74 |
| 27 (CH3) | 19.7 |
| 1' (CH) | 100.44 |
| 2' (CH) | 76.53 |
| 3' (CH) | 84.89 |
| 4' (CH) | 70.45 |
| 5' (CH) | 75.06 |
| 6' (CH2) | 62.57 |
| 1'' (CH) | 102.22 |
| 2'' (CH) | 72.61 |
| 3'' (CH) | 72.87 |
| 4'' (CH) | 74.22 |
| 5'' (CH) | 69.46 |
| 6'' (CH3) | 18.64 |
| 1''' (CH) | 105.87 |
| 2''' (CH) | 74.97 |
| 3''' (CH) | 78.54 |
| 4''' (CH) | 71.66 |
| 5''' (CH) | 77.59 |
| 6''' (CH2) | 61.77 |
