Spektraris NMR
Daedaleaside B
Common Name: Daedaleaside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H58O10/c1-20(2)21(3)10-11-23(34(46)49-35-33(45)32(44)31(43)27(19-40)48-35)30-26(47-22(4)41)18-39(9)25-12-13-28-36(5,6)29(42)15-16-37(28,7)24(25)14-17-38(30,39)8/h12,14,20,23,26-28,30-33,35,40,43-45H,3,10-11,13,15-19H2,1-2,4-9H3/t23-,26-,27-,28+,30+,31-,32+,33-,35+,37-,38-,39+/m1/s1
InChIKey: InChIKey=IKPJJKUNGRXSOG-BBOOSNPVSA-N
Formula: C39H58O10
Molecular Weight: 686.873313
Exact Mass: 686.402998
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Kouso, K., Takahashi, J., Matsuda, A., Okazoe, M., Umeyama, A., Arihara, S. J Nat Prod (2005) 68, 911-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.5 |
| 2 (CH2) | 34.8 |
| 3 (C) | 215 |
| 4 (C) | 47.4 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 120.9 |
| 8 (C) | 141.9 |
| 9 (C) | 144.3 |
| 10 (C) | 37.4 |
| 11 (CH) | 118 |
| 12 (CH2) | 35.8 |
| 13 (C) | 44.5 |
| 14 (C) | 48.9 |
| 15 (CH2) | 41.4 |
| 16 (CH) | 78.9 |
| 17 (CH) | 53.8 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 21.9 |
| 20 (CH) | 46.9 |
| 21 (C) | 174.9 |
| 22 (CH2) | 31 |
| 23 (CH2) | 31.8 |
| 24 (C) | 155.7 |
| 25 (CH) | 34.4 |
| 26 (CH3) | 22 |
| 27 (CH3) | 22 |
| 28 (CH3) | 25.5 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 25.8 |
| 1' (CH) | 95.9 |
| 2' (CH) | 73.9 |
| 3' (CH) | 79.3 |
| 4' (CH) | 71.3 |
| 5' (CH) | 79.3 |
| 6' (CH2) | 62.5 |
| 16a (C) | 170.4 |
| 16b (CH3) | 21.2 |
| 24a (CH2) | 106.8 |
