Spektraris NMR
Daedaleaside A
Common Name: Daedaleaside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H58O10/c1-20(2)22(5)10-12-27(36(46)49-37-35(45)34(44)33(43)31(19-40)48-37)32-30(47-24(7)41)18-39(9)28-14-11-23(6)25(13-15-29(42)21(3)4)26(28)16-17-38(32,39)8/h11,14,20-21,27,30-35,37,40,43-45H,5,10,12-13,15-19H2,1-4,6-9H3/t27-,30-,31-,32+,33-,34+,35-,37+,38-,39+/m1/s1
InChIKey: InChIKey=MKWNSTIPANKIBC-TWMWDNCOSA-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) | 23.8 |
| 2 (CH2) | 39.1 |
| 3 (C) | 213.3 |
| 4 (CH) | 40.9 |
| 5 (C) | 133.2 |
| 6 (CH) | 128.3 |
| 7 (CH) | 123.3 |
| 8 (C) | 144.8 |
| 9 (C) | 133.4 |
| 10 (C) | 138.2 |
| 11 (CH2) | 23.4 |
| 12 (CH2) | 29.3 |
| 13 (C) | 45 |
| 14 (C) | 49 |
| 15 (CH2) | 42.2 |
| 16 (CH) | 79.3 |
| 17 (CH) | 53.8 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 19.7 |
| 20 (CH) | 46.8 |
| 21 (C) | 175.2 |
| 22 (CH2) | 31.1 |
| 23 (CH2) | 31.8 |
| 24 (C) | 155.7 |
| 25 (CH) | 34.4 |
| 26 (CH3) | 22 |
| 27 (CH3) | 22 |
| 28 (CH3) | 18.3 |
| 29 (CH3) | 18.4 |
| 30 (CH3) | 28.7 |
| 1' (CH) | 95.9 |
| 2' (CH) | 74 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.2 |
| 5' (CH) | 79.3 |
| 6' (CH2) | 62.5 |
| 16a (C) | 170.5 |
| 16b (CH3) | 21.3 |
| 24a (CH2) | 106.9 |
