Spektraris NMR
Darendroside B
Common Name: Darendroside B
Synonyms: Darendroside B
CAS Registry Number:
InChI: InChI=1S/C21H32O12/c1-9-14(24)16(26)17(27)21(31-9)33-19-15(25)13(8-22)32-20(18(19)28)30-6-5-10-3-4-12(29-2)11(23)7-10/h3-4,7,9,13-28H,5-6,8H2,1-2H3/t9-,13+,14-,15+,16+,17+,18+,19-,20+,21-/m0/s1
InChIKey: InChIKey=MMRYSDPTALIPSP-MGXJDOAZSA-N
Formula: C21H32O12
Molecular Weight: 476.472417
Exact Mass: 476.189376
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Takasaki, M., Yamauchi, I.I., Haruna, M., Konoshima, T. J Nat Prod (1998) 61, 1105-9
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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 (C) | 132.93 |
| 2 (CH) | 117.07 |
| 3 (C) | 147.37 |
| 4 (C) | 147.53 |
| 5 (CH) | 112.83 |
| 6 (CH) | 121.14 |
| 7 (CH2) | 36.58 |
| 8 (CH2) | 71.99 |
| 1'' (CH) | 104.24 |
| 2'' (CH) | 75.65 |
| 3'' (CH) | 84.47 |
| 4'' (CH) | 70.07 |
| 5'' (CH) | 77.88 |
| 6'' (CH2) | 62.68 |
| 1''' (CH) | 102.78 |
| 2''' (CH) | 72.37 |
| 3''' (CH) | 72.24 |
| 4''' (CH) | 73.99 |
| 5''' (CH) | 70.2 |
| 6''' (CH3) | 17.91 |
| 5a (CH3) | 56.48 |
