Spektraris NMR
Beesioside D
Common Name: Beesioside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H60O10/c1-19(38)45-21-15-33(6)23-10-9-22-31(2,3)25(46-30-28(42)27(41)20(39)17-44-30)12-14-36(22)18-37(23,36)16-24(40)35(33,8)29(21)34(7)13-11-26(47-34)32(4,5)43/h20-30,39-43H,9-18H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27+,28-,29+,30+,33+,34+,35-,36-,37+/m1/s1
InChIKey: InChIKey=NECJXTJQUCDULP-OABKWYPMSA-N
Formula: C37H60O10
Molecular Weight: 664.867723
Exact Mass: 664.418648
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ju, J.H., Liu, D., Lin, G., Xu, X.D., Han, B., Yang, J.S., Tu, G.Z., Ma, L.B. J Nat Prod (2002) 65, 42-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.2 |
| 2 (CH2) | 30 |
| 3 (CH) | 88.4 |
| 4 (C) | 41.3 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 26 |
| 8 (CH) | 46.4 |
| 9 (C) | 20.3 |
| 10 (C) | 26.6 |
| 11 (CH2) | 38.1 |
| 12 (CH) | 72.4 |
| 13 (C) | 53 |
| 14 (C) | 48.3 |
| 15 (CH2) | 45.7 |
| 16 (CH) | 75.3 |
| 17 (CH) | 57.8 |
| 18 (CH3) | 13.7 |
| 19 (CH2) | 30.4 |
| 20 (C) | 85 |
| 21 (CH3) | 28.1 |
| 22 (CH2) | 35 |
| 23 (CH2) | 25.7 |
| 24 (CH) | 82.7 |
| 25 (C) | 69.7 |
| 26 (CH3) | 28.8 |
| 27 (CH3) | 27.7 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 20.1 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.2 |
| 5' (CH2) | 67 |
| 16a (C) | 170.2 |
| 16b (CH3) | 21.5 |
