Spektraris NMR
Daedaleaside E
Common Name: Daedaleaside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H62O11/c1-21(2)22(3)11-12-25(36(48)52-37-35(47)34(46)33(45)29(51-37)20-49-23(4)42)32-28(50-24(5)43)19-41(10)27-13-14-30-38(6,7)31(44)16-17-39(30,8)26(27)15-18-40(32,41)9/h21,25,28-30,32-35,37,45-47H,3,11-20H2,1-2,4-10H3/t25-,28-,29-,30+,32+,33-,34+,35-,37+,39-,40-,41+/m1/s1
InChIKey: InChIKey=RUAKGNYESYUQPT-KBMCNBBDSA-N
Formula: C41H62O11
Molecular Weight: 730.925953
Exact Mass: 730.429213
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 |
| 2 (CH2) | 34.6 |
| 3 (C) | 216.1 |
| 4 (C) | 47.3 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 26.3 |
| 8 (C) | 134 |
| 9 (C) | 134.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21 |
| 12 (CH2) | 29.1 |
| 13 (C) | 45.7 |
| 14 (C) | 48.4 |
| 15 (CH2) | 40.7 |
| 16 (CH) | 78.6 |
| 17 (CH) | 53.7 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 18.5 |
| 20 (CH) | 46.9 |
| 21 (C) | 175 |
| 22 (CH2) | 30.9 |
| 23 (CH2) | 31.6 |
| 24 (C) | 155.9 |
| 25 (CH) | 34.6 |
| 26 (CH3) | 22 |
| 27 (CH3) | 22 |
| 28 (CH3) | 26.4 |
| 29 (CH3) | 21.3 |
| 30 (CH3) | 24.9 |
| 1' (CH) | 95.6 |
| 2' (CH) | 73.7 |
| 3' (CH) | 79.1 |
| 4' (CH) | 71 |
| 5' (CH) | 76.1 |
| 6' (CH2) | 64.3 |
| 16a (C) | 170.4 |
| 16b (CH3) | 21.3 |
| 24a (CH2) | 107 |
| 6'a (C) | 170.7 |
| 6'b (CH3) | 20.7 |
