Spektraris NMR
Adinoside B
Common Name: Adinoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O11/c1-4-11-12(7-15-28-6-5-10(2)30-15)13(19(26)27-3)9-29-20(11)32-21-18(25)17(24)16(23)14(8-22)31-21/h4,9-12,14-18,20-25H,1,5-8H2,2-3H3/t10-,11+,12-,14+,15+,16+,17-,18+,20-,21-/m0/s1
InChIKey: InChIKey=SVJKQLMNDPSOQK-KEEKJGOVSA-N
Formula: C21H32O11
Molecular Weight: 460.473012
Exact Mass: 460.194462
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Itoh, A., Fujii, K., Tomatsu, S., Takao, C., Tanahashi, T., Nagakura, N., Chen, C.C. J Nat Prod (2003) 66, 1212-6
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 97.7 |
| 3 (CH) | 153.3 |
| 4 (C) | 111.8 |
| 5 (CH) | 30.2 |
| 6 (CH2) | 36.1 |
| 7 (CH) | 102.2 |
| 8 (CH) | 135.9 |
| 9 (CH) | 45.4 |
| 10 (CH2) | 111.5 |
| 11 (C) | 169.3 |
| 1' (CH) | 100.1 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.8 |
| 7a (CH2) | 67.7 |
| 7b (CH2) | 34.2 |
| 7c (CH) | 74 |
| 7d (CH3) | 22 |
| 11a (CH3) | 51.7 |
